| Chain sequence(s) |
A: DKSTGKPTLYNVSLVMSDTAGTCYEAAAKEAAAKEAAAKEVQLVESGGGLVQPGGSLRLSCAASGRTFSYNPMGWFRQAPGKGRELVAAISRTGGSTYYPDSVEGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAAAGVRAEDGRVRTLPSEYTFWGQGTQVTVSDKSTGKPTLYNVSLVMSDTAGTCYEAAAKEAAAKEAAAKEVQLVESGGGLVQPGGSLRLSCAASGRTFSYNPMGWFRQAPGKGRELVAAISRTGGSTYYPDSVEGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAAAGVRAEDGRVRTLPSEYTFWGQGTQVTVSDKSTGKPTLYNVSLVMSDTAGTCYEAAAKEAAAKEAAAKEVQLVESGGGLVQPGGSLRLSCAASGRTFSYNPMGWFRQAPGKGRELVAAISRTGGSTYYPDSVEGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAAAGVRAEDGRVRTLPSEYTFWGQGTQVTVSDKSTGKPTLYNVSLVMSDTAGTCYEAAAKEAAAKEAAAKEVQLVESGGGLVQPGGSLRLSCAASGRTFSYNPMGWFRQAPGKGRELVAAISRTGGSTYYPDSVEGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAAAGVRAEDGRVRTLPSEYTFWGQGTQVTVSDKSTGKPTLYNVSLVMSDTAGTCYEAAAKEAAAKEAAAKEVQLVESGGGLVQPGGSLRLSCAASGRTFSYNPMGWFRQAPGKGRELVAAISRTGGSTYYPDSVEGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAAAGVRAEDGRVRTLPSEYTFWGQGTQVTVSDKSTGKPTLYNVSLVMSDTAGTCY
B: QEDERIVLVDNKCKCARITSRIIRSSEDPNEDIVERNIRIIVPLNNRENISDPTSPLRTRFVYHLSDLCKKCDPTEVELDNQIVTATQSNICDEDSATETCYTYDRNKCYTAVVPLVYGGETKMVETALTPDACYPD input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 5 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] (00:00:12)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:12)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:12)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:12)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:15)
[INFO] FoldX: Starting FoldX energy minimization (00:00:15)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:15:25)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/78e43ea9906fdfa/tmp/folded.pdb (00:15:25)
[INFO] Main: Simulation completed successfully. (00:21:48)
|
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 | D | A | -2.0991 | |
| 2 | K | A | -2.0651 | |
| 3 | S | A | -0.5328 | |
| 4 | T | A | -0.1681 | |
| 5 | G | A | -0.7867 | |
| 6 | K | A | -1.8326 | |
| 7 | P | A | -0.5809 | |
| 8 | T | A | 0.1202 | |
| 9 | L | A | 1.3959 | |
| 10 | Y | A | 0.7424 | |
| 11 | N | A | -1.0371 | |
| 12 | V | A | 0.2436 | |
| 13 | S | A | -0.0620 | |
| 14 | L | A | 0.5734 | |
| 15 | V | A | 1.8943 | |
| 16 | M | A | 0.6598 | |
| 17 | S | A | -0.4642 | |
| 18 | D | A | -1.8402 | |
| 19 | T | A | -0.3849 | |
| 20 | A | A | -0.0541 | |
| 21 | G | A | -0.4712 | |
| 22 | T | A | -0.1333 | |
| 23 | C | A | 0.1550 | |
| 24 | Y | A | 0.1964 | |
| 25 | E | A | -0.4495 | |
| 26 | A | A | -0.2160 | |
| 27 | A | A | 0.0637 | |
| 28 | A | A | -0.2725 | |
| 29 | K | A | -2.0278 | |
| 30 | E | A | -2.1195 | |
| 31 | A | A | -0.2599 | |
| 32 | A | A | 0.0781 | |
| 33 | A | A | -0.2414 | |
| 34 | K | A | -2.0198 | |
| 35 | E | A | -2.1212 | |
| 36 | A | A | -0.2950 | |
| 37 | A | A | 0.0288 | |
| 38 | A | A | -0.2400 | |
| 39 | K | A | -1.9339 | |
| 40 | E | A | -1.6539 | |
| 41 | V | A | 0.0000 | |
| 42 | Q | A | -0.6970 | |
| 43 | L | A | 0.0000 | |
| 44 | V | A | 1.7728 | |
| 45 | E | A | 0.0000 | |
| 46 | S | A | -0.2004 | |
| 47 | G | A | -0.3777 | |
| 48 | G | A | -0.2389 | |
| 49 | G | A | -0.0345 | |
| 50 | L | A | 0.6660 | |
| 51 | V | A | 0.0000 | |
| 52 | Q | A | -1.2218 | |
| 53 | P | A | -0.5529 | |
| 54 | G | A | -0.5120 | |
| 55 | G | A | -0.1725 | |
| 56 | S | A | -0.2637 | |
| 57 | L | A | -0.1426 | |
| 58 | R | A | -1.8493 | |
| 59 | L | A | 0.0000 | |
| 60 | S | A | -0.0151 | |
| 61 | C | A | 0.0000 | |
| 62 | A | A | 0.0466 | |
| 63 | A | A | 0.0000 | |
| 64 | S | A | -0.1117 | |
| 65 | G | A | -0.4578 | |
| 66 | R | A | -1.8650 | |
| 67 | T | A | -0.3475 | |
| 68 | F | A | 0.0000 | |
| 69 | S | A | 0.1507 | |
| 70 | Y | A | 1.2997 | |
| 71 | N | A | 0.0000 | |
| 72 | P | A | 0.0000 | |
| 73 | M | A | 0.0000 | |
| 74 | G | A | 0.0000 | |
| 75 | W | A | 0.0000 | |
| 76 | F | A | 0.0000 | |
| 77 | R | A | 0.0000 | |
| 78 | Q | A | -0.3310 | |
| 79 | A | A | -0.0726 | |
| 80 | P | A | -0.3373 | |
| 81 | G | A | -0.8147 | |
| 82 | K | A | -1.8681 | |
| 83 | G | A | -0.9579 | |
| 84 | R | A | -1.2723 | |
| 85 | E | A | -1.1051 | |
| 86 | L | A | 0.0000 | |
| 87 | V | A | 0.0000 | |
| 88 | A | A | 0.0000 | |
| 89 | A | A | 0.0000 | |
| 90 | I | A | 0.0000 | |
| 91 | S | A | 0.0000 | |
| 92 | R | A | -0.5381 | |
| 93 | T | A | -0.1967 | |
| 94 | G | A | -0.2731 | |
| 95 | G | A | -0.5179 | |
| 96 | S | A | -0.2018 | |
| 97 | T | A | 0.0532 | |
| 98 | Y | A | 0.6507 | |
| 99 | Y | A | 0.3094 | |
| 100 | P | A | -0.3226 | |
| 101 | D | A | -1.8340 | |
| 102 | S | A | -0.5307 | |
| 103 | V | A | 0.0000 | |
| 104 | E | A | -1.9044 | |
| 105 | G | A | -0.8504 | |
| 106 | R | A | -0.3885 | |
| 107 | F | A | 0.0000 | |
| 108 | T | A | -0.0555 | |
| 109 | I | A | 0.0000 | |
| 110 | S | A | -0.1559 | |
| 111 | R | A | -0.2971 | |
| 112 | D | A | -0.4799 | |
| 113 | N | A | -0.5895 | |
| 114 | A | A | -0.3220 | |
| 115 | K | A | -1.8757 | |
| 116 | R | A | -1.3683 | |
| 117 | M | A | -0.0479 | |
| 118 | V | A | 0.0000 | |
| 119 | Y | A | 0.1963 | |
| 120 | L | A | 0.0000 | |
| 121 | Q | A | -0.5961 | |
| 122 | M | A | 0.0000 | |
| 123 | N | A | -0.7384 | |
| 124 | S | A | -0.2798 | |
| 125 | L | A | 0.0000 | |
| 126 | R | A | -1.2055 | |
| 127 | A | A | -0.4852 | |
| 128 | E | A | -1.8094 | |
| 129 | D | A | 0.0000 | |
| 130 | T | A | -0.0207 | |
| 131 | A | A | 0.0000 | |
| 132 | V | A | 0.0000 | |
| 133 | Y | A | 0.0000 | |
| 134 | Y | A | 0.0000 | |
| 135 | C | A | 0.0000 | |
| 136 | A | A | 0.0000 | |
| 137 | A | A | 0.0000 | |
| 138 | A | A | 0.0000 | |
| 139 | G | A | 0.0771 | |
| 140 | V | A | 0.7342 | |
| 141 | R | A | -1.6523 | |
| 142 | A | A | -0.6501 | |
| 143 | E | A | -2.0800 | |
| 144 | D | A | -1.8643 | |
| 145 | G | A | -1.0071 | |
| 146 | R | A | -1.5953 | |
| 147 | V | A | -0.1398 | |
| 148 | R | A | -0.1563 | |
| 149 | T | A | 0.2309 | |
| 150 | L | A | 1.5226 | |
| 151 | P | A | 0.1107 | |
| 152 | S | A | -0.3546 | |
| 153 | E | A | -0.7039 | |
| 154 | Y | A | 0.0000 | |
| 155 | T | A | -0.0253 | |
| 156 | F | A | 0.2816 | |
| 157 | W | A | 0.2941 | |
| 158 | G | A | 0.0000 | |
| 159 | Q | A | -1.2201 | |
| 160 | G | A | -0.3381 | |
| 161 | T | A | 0.0000 | |
| 162 | Q | A | -0.7459 | |
| 163 | V | A | 0.0000 | |
| 164 | T | A | 0.0494 | |
| 165 | V | A | 0.0000 | |
| 166 | S | A | -0.3539 | |
| 167 | D | A | -2.1072 | |
| 168 | K | A | -2.0684 | |
| 169 | S | A | -0.5416 | |
| 170 | T | A | -0.1936 | |
| 171 | G | A | -0.6566 | |
| 172 | K | A | -1.1191 | |
| 173 | P | A | -0.4386 | |
| 174 | T | A | 0.1577 | |
| 175 | L | A | 1.2389 | |
| 176 | Y | A | 0.2362 | |
| 177 | N | A | -0.6619 | |
| 178 | V | A | 0.0000 | |
| 179 | S | A | -0.0359 | |
| 180 | L | A | 0.0000 | |
| 181 | V | A | 0.4972 | |
| 182 | M | A | 0.0000 | |
| 183 | S | A | 0.0000 | |
| 184 | D | A | -0.3627 | |
| 185 | T | A | -0.0601 | |
| 186 | A | A | 0.0107 | |
| 187 | G | A | 0.0000 | |
| 188 | T | A | -0.0270 | |
| 189 | C | A | 0.0000 | |
| 190 | Y | A | 0.5096 | |
| 191 | E | A | 0.0000 | |
| 192 | A | A | 0.0000 | |
| 193 | A | A | 0.0097 | |
| 194 | A | A | -0.0168 | |
| 195 | K | A | -0.2290 | |
| 196 | E | A | -0.2277 | |
| 197 | A | A | -0.0161 | |
| 198 | A | A | 0.0280 | |
| 199 | A | A | -0.1646 | |
| 200 | K | A | -1.3352 | |
| 201 | E | A | -2.0016 | |
| 202 | A | A | -0.3159 | |
| 203 | A | A | -0.2511 | |
| 204 | A | A | -0.2321 | |
| 205 | K | A | -1.8509 | |
| 206 | E | A | -1.6509 | |
| 207 | V | A | 0.0000 | |
| 208 | Q | A | -0.3468 | |
| 209 | L | A | 0.0000 | |
| 210 | V | A | 0.6442 | |
| 211 | E | A | 0.0000 | |
| 212 | S | A | -0.0585 | |
| 213 | G | A | 0.0000 | |
| 214 | G | A | 0.0000 | |
| 215 | G | A | 0.0000 | |
| 216 | L | A | 0.1471 | |
| 217 | V | A | 0.0000 | |
| 218 | Q | A | -1.2289 | |
| 219 | P | A | -0.4707 | |
| 220 | G | A | -0.5236 | |
| 221 | G | A | -0.1745 | |
| 222 | S | A | -0.3042 | |
| 223 | L | A | 0.0000 | |
| 224 | R | A | -1.7237 | |
| 225 | L | A | 0.0000 | |
| 226 | S | A | 0.0031 | |
| 227 | C | A | 0.0000 | |
| 228 | A | A | 0.1045 | |
| 229 | A | A | 0.0000 | |
| 230 | S | A | -0.1899 | |
| 231 | G | A | -0.4422 | |
| 232 | R | A | -1.8600 | |
| 233 | T | A | -0.3508 | |
| 234 | F | A | 0.0000 | |
| 235 | S | A | -0.0402 | |
| 236 | Y | A | 0.4934 | |
| 237 | N | A | 0.0000 | |
| 238 | P | A | 0.0000 | |
| 239 | M | A | 0.0000 | |
| 240 | G | A | 0.0000 | |
| 241 | W | A | 0.0000 | |
| 242 | F | A | 0.0000 | |
| 243 | R | A | 0.0000 | |
| 244 | Q | A | -0.6707 | |
| 245 | A | A | -0.1293 | |
| 246 | P | A | -0.3370 | |
| 247 | G | A | -0.8152 | |
| 248 | K | A | -1.8685 | |
| 249 | G | A | -0.9878 | |
| 250 | R | A | -1.5471 | |
| 251 | E | A | -1.5143 | |
| 252 | L | A | -0.0939 | |
| 253 | V | A | 0.0000 | |
| 254 | A | A | 0.0000 | |
| 255 | A | A | 0.0000 | |
| 256 | I | A | 0.0000 | |
| 257 | S | A | 0.0000 | |
| 258 | R | A | -0.4031 | |
| 259 | T | A | -0.1728 | |
| 260 | G | A | -0.2733 | |
| 261 | G | A | -0.5178 | |
| 262 | S | A | -0.2015 | |
| 263 | T | A | 0.0522 | |
| 264 | Y | A | 0.6538 | |
| 265 | Y | A | 0.3088 | |
| 266 | P | A | -0.3336 | |
| 267 | D | A | -1.8365 | |
| 268 | S | A | -0.5357 | |
| 269 | V | A | 0.0000 | |
| 270 | E | A | -1.9047 | |
| 271 | G | A | -0.8441 | |
| 272 | R | A | -0.3467 | |
| 273 | F | A | 0.0000 | |
| 274 | T | A | -0.0527 | |
| 275 | I | A | 0.0000 | |
| 276 | S | A | -0.1524 | |
| 277 | R | A | -0.3044 | |
| 278 | D | A | -0.5203 | |
| 279 | N | A | -0.6806 | |
| 280 | A | A | -0.3353 | |
| 281 | K | A | -1.8877 | |
| 282 | R | A | -1.4427 | |
| 283 | M | A | -0.0503 | |
| 284 | V | A | 0.0000 | |
| 285 | Y | A | 0.1915 | |
| 286 | L | A | 0.0000 | |
| 287 | Q | A | -0.5605 | |
| 288 | M | A | 0.0000 | |
| 289 | N | A | -0.7013 | |
| 290 | S | A | -0.2983 | |
| 291 | L | A | 0.0000 | |
| 292 | R | A | -1.1986 | |
| 293 | A | A | -0.4859 | |
| 294 | E | A | -1.8094 | |
| 295 | D | A | 0.0000 | |
| 296 | T | A | -0.0191 | |
| 297 | A | A | 0.0000 | |
| 298 | V | A | 0.4057 | |
| 299 | Y | A | 0.0000 | |
| 300 | Y | A | 0.1467 | |
| 301 | C | A | 0.0000 | |
| 302 | A | A | 0.0000 | |
| 303 | A | A | 0.0000 | |
| 304 | A | A | 0.0000 | |
| 305 | G | A | -0.0067 | |
| 306 | V | A | 0.2709 | |
| 307 | R | A | -1.7333 | |
| 308 | A | A | -0.6538 | |
| 309 | E | A | -2.0208 | |
| 310 | D | A | -1.5325 | |
| 311 | G | A | -0.9471 | |
| 312 | R | A | -1.5953 | |
| 313 | V | A | -0.1770 | |
| 314 | R | A | -0.3265 | |
| 315 | T | A | 0.1983 | |
| 316 | L | A | 1.5201 | |
| 317 | P | A | 0.1006 | |
| 318 | S | A | -0.3181 | |
| 319 | E | A | -0.4887 | |
| 320 | Y | A | 0.0000 | |
| 321 | T | A | -0.0291 | |
| 322 | F | A | 0.2632 | |
| 323 | W | A | 0.2949 | |
| 324 | G | A | -0.1497 | |
| 325 | Q | A | -0.7998 | |
| 326 | G | A | 0.0000 | |
| 327 | T | A | -0.2272 | |
| 328 | Q | A | -1.1184 | |
| 329 | V | A | 0.0000 | |
| 330 | T | A | 0.0101 | |
| 331 | V | A | 0.0000 | |
| 332 | S | A | -0.3495 | |
| 333 | D | A | -2.1026 | |
| 334 | K | A | -2.0641 | |
| 335 | S | A | -0.5335 | |
| 336 | T | A | -0.1196 | |
| 337 | G | A | -0.3868 | |
| 338 | K | A | -0.7577 | |
| 339 | P | A | 0.0000 | |
| 340 | T | A | 0.0352 | |
| 341 | L | A | 0.2630 | |
| 342 | Y | A | 0.0000 | |
| 343 | N | A | -0.3078 | |
| 344 | V | A | 0.0000 | |
| 345 | S | A | -0.0586 | |
| 346 | L | A | 0.0000 | |
| 347 | V | A | 0.0000 | |
| 348 | M | A | 0.0000 | |
| 349 | S | A | 0.0000 | |
| 350 | D | A | -0.5748 | |
| 351 | T | A | -0.1292 | |
| 352 | A | A | 0.0070 | |
| 353 | G | A | 0.0000 | |
| 354 | T | A | 0.0000 | |
| 355 | C | A | 0.0000 | |
| 356 | Y | A | 0.0805 | |
| 357 | E | A | -0.5348 | |
| 358 | A | A | 0.0000 | |
| 359 | A | A | 0.0125 | |
| 360 | A | A | -0.1287 | |
| 361 | K | A | -1.0786 | |
| 362 | E | A | -1.4062 | |
| 363 | A | A | -0.1824 | |
| 364 | A | A | 0.0660 | |
| 365 | A | A | -0.1689 | |
| 366 | K | A | -1.3783 | |
| 367 | E | A | -2.0079 | |
| 368 | A | A | -0.3157 | |
| 369 | A | A | -0.1908 | |
| 370 | A | A | -0.2788 | |
| 371 | K | A | -1.8715 | |
| 372 | E | A | -1.2749 | |
| 373 | V | A | 0.0000 | |
| 374 | Q | A | -0.2383 | |
| 375 | L | A | 0.0000 | |
| 376 | V | A | 1.7093 | |
| 377 | E | A | 0.0000 | |
| 378 | S | A | -0.1894 | |
| 379 | G | A | -0.2515 | |
| 380 | G | A | -0.2396 | |
| 381 | G | A | -0.0115 | |
| 382 | L | A | 0.9230 | |
| 383 | V | A | 0.1478 | |
| 384 | Q | A | -1.1731 | |
| 385 | P | A | -0.3668 | |
| 386 | G | A | -0.5040 | |
| 387 | G | A | -0.1935 | |
| 388 | S | A | -0.2695 | |
| 389 | L | A | 0.0507 | |
| 390 | R | A | -0.7586 | |
| 391 | L | A | 0.0000 | |
| 392 | S | A | 0.0009 | |
| 393 | C | A | 0.0000 | |
| 394 | A | A | 0.0434 | |
| 395 | A | A | 0.0000 | |
| 396 | S | A | -0.1611 | |
| 397 | G | A | -0.4326 | |
| 398 | R | A | -1.8592 | |
| 399 | T | A | -0.3515 | |
| 400 | F | A | 0.0000 | |
| 401 | S | A | 0.0245 | |
| 402 | Y | A | 0.6711 | |
| 403 | N | A | 0.0000 | |
| 404 | P | A | 0.0000 | |
| 405 | M | A | 0.0000 | |
| 406 | G | A | 0.0000 | |
| 407 | W | A | 0.0000 | |
| 408 | F | A | 0.0000 | |
| 409 | R | A | 0.0000 | |
| 410 | Q | A | 0.0000 | |
| 411 | A | A | -0.0372 | |
| 412 | P | A | -0.3377 | |
| 413 | G | A | -0.8144 | |
| 414 | K | A | -1.7950 | |
| 415 | G | A | -0.3850 | |
| 416 | R | A | 0.0000 | |
| 417 | E | A | -0.6693 | |
| 418 | L | A | 0.0000 | |
| 419 | V | A | 0.0000 | |
| 420 | A | A | 0.0000 | |
| 421 | A | A | 0.0000 | |
| 422 | I | A | 0.0000 | |
| 423 | S | A | 0.0000 | |
| 424 | R | A | -0.3663 | |
| 425 | T | A | -0.1666 | |
| 426 | G | A | -0.2762 | |
| 427 | G | A | -0.5186 | |
| 428 | S | A | -0.2031 | |
| 429 | T | A | 0.0437 | |
| 430 | Y | A | 0.6104 | |
| 431 | Y | A | 0.3040 | |
| 432 | P | A | -0.3288 | |
| 433 | D | A | -1.8358 | |
| 434 | S | A | -0.5346 | |
| 435 | V | A | 0.0000 | |
| 436 | E | A | -1.9046 | |
| 437 | G | A | -0.8494 | |
| 438 | R | A | -0.3788 | |
| 439 | F | A | 0.0000 | |
| 440 | T | A | -0.0541 | |
| 441 | I | A | 0.0000 | |
| 442 | S | A | -0.1528 | |
| 443 | R | A | -0.3016 | |
| 444 | D | A | -0.5084 | |
| 445 | N | A | -0.6660 | |
| 446 | A | A | -0.3318 | |
| 447 | K | A | -1.8851 | |
| 448 | R | A | -1.4221 | |
| 449 | M | A | -0.0508 | |
| 450 | V | A | 0.0000 | |
| 451 | Y | A | 0.1835 | |
| 452 | L | A | 0.0000 | |
| 453 | Q | A | -0.4509 | |
| 454 | M | A | 0.0000 | |
| 455 | N | A | -0.7172 | |
| 456 | S | A | -0.2760 | |
| 457 | L | A | 0.0000 | |
| 458 | R | A | -1.2435 | |
| 459 | A | A | -0.4949 | |
| 460 | E | A | -1.8094 | |
| 461 | D | A | 0.0000 | |
| 462 | T | A | -0.0193 | |
| 463 | A | A | 0.0000 | |
| 464 | V | A | 0.0251 | |
| 465 | Y | A | 0.0000 | |
| 466 | Y | A | 0.0000 | |
| 467 | C | A | 0.0000 | |
| 468 | A | A | 0.0000 | |
| 469 | A | A | 0.0000 | |
| 470 | A | A | 0.0000 | |
| 471 | G | A | -0.0195 | |
| 472 | V | A | 0.1902 | |
| 473 | R | A | -1.7465 | |
| 474 | A | A | -0.6540 | |
| 475 | E | A | -2.0206 | |
| 476 | D | A | -1.5320 | |
| 477 | G | A | -0.9993 | |
| 478 | R | A | -1.9276 | |
| 479 | V | A | 0.0000 | |
| 480 | R | A | -0.2916 | |
| 481 | T | A | 0.0086 | |
| 482 | L | A | 0.3836 | |
| 483 | P | A | 0.0000 | |
| 484 | S | A | -0.2924 | |
| 485 | E | A | -0.5729 | |
| 486 | Y | A | 0.0000 | |
| 487 | T | A | -0.0286 | |
| 488 | F | A | 0.2175 | |
| 489 | W | A | 0.0000 | |
| 490 | G | A | 0.0000 | |
| 491 | Q | A | -0.5729 | |
| 492 | G | A | -0.2049 | |
| 493 | T | A | -0.2448 | |
| 494 | Q | A | -1.1716 | |
| 495 | V | A | 0.0000 | |
| 496 | T | A | 0.0828 | |
| 497 | V | A | 0.0000 | |
| 498 | S | A | -0.3540 | |
| 499 | D | A | -2.1081 | |
| 500 | K | A | -2.0695 | |
| 501 | S | A | -0.5481 | |
| 502 | T | A | -0.1949 | |
| 503 | G | A | -0.7907 | |
| 504 | K | A | -1.7927 | |
| 505 | P | A | -0.3600 | |
| 506 | T | A | 0.1610 | |
| 507 | L | A | 1.0477 | |
| 508 | Y | A | 0.0000 | |
| 509 | N | A | -0.6407 | |
| 510 | V | A | 0.0000 | |
| 511 | S | A | 0.0493 | |
| 512 | L | A | 0.0000 | |
| 513 | V | A | 0.3553 | |
| 514 | M | A | 0.0000 | |
| 515 | S | A | -0.1319 | |
| 516 | D | A | -0.5089 | |
| 517 | T | A | -0.1004 | |
| 518 | A | A | 0.0286 | |
| 519 | G | A | 0.0000 | |
| 520 | T | A | -0.0273 | |
| 521 | C | A | 0.0000 | |
| 522 | Y | A | 0.0000 | |
| 523 | E | A | -1.1599 | |
| 524 | A | A | -0.1933 | |
| 525 | A | A | 0.0376 | |
| 526 | A | A | -0.2418 | |
| 527 | K | A | -1.7441 | |
| 528 | E | A | -0.5988 | |
| 529 | A | A | 0.0149 | |
| 530 | A | A | 0.0701 | |
| 531 | A | A | -0.2370 | |
| 532 | K | A | -1.7380 | |
| 533 | E | A | -2.0703 | |
| 534 | A | A | -0.2897 | |
| 535 | A | A | 0.0696 | |
| 536 | A | A | -0.2683 | |
| 537 | K | A | -1.9204 | |
| 538 | E | A | -1.5633 | |
| 539 | V | A | 0.0000 | |
| 540 | Q | A | -0.5316 | |
| 541 | L | A | 0.0000 | |
| 542 | V | A | 0.2818 | |
| 543 | E | A | 0.0000 | |
| 544 | S | A | -0.0713 | |
| 545 | G | A | -0.1924 | |
| 546 | G | A | -0.1150 | |
| 547 | G | A | -0.0019 | |
| 548 | L | A | 0.3094 | |
| 549 | V | A | 0.0000 | |
| 550 | Q | A | -1.2085 | |
| 551 | P | A | -0.4580 | |
| 552 | G | A | -0.5102 | |
| 553 | G | A | -0.1769 | |
| 554 | S | A | -0.2544 | |
| 555 | L | A | -0.1396 | |
| 556 | R | A | -1.8908 | |
| 557 | L | A | 0.0000 | |
| 558 | S | A | -0.0124 | |
| 559 | C | A | 0.0000 | |
| 560 | A | A | 0.0299 | |
| 561 | A | A | 0.0000 | |
| 562 | S | A | -0.0543 | |
| 563 | G | A | -0.4471 | |
| 564 | R | A | -1.8661 | |
| 565 | T | A | -0.3493 | |
| 566 | F | A | 0.0000 | |
| 567 | S | A | -0.0172 | |
| 568 | Y | A | 0.5499 | |
| 569 | N | A | 0.0000 | |
| 570 | P | A | 0.0000 | |
| 571 | M | A | 0.0000 | |
| 572 | G | A | 0.0000 | |
| 573 | W | A | 0.0000 | |
| 574 | F | A | 0.0000 | |
| 575 | R | A | 0.0000 | |
| 576 | Q | A | -0.3988 | |
| 577 | A | A | -0.0911 | |
| 578 | P | A | -0.2924 | |
| 579 | G | A | -0.6409 | |
| 580 | K | A | -1.8239 | |
| 581 | G | A | -0.9156 | |
| 582 | R | A | -1.1110 | |
| 583 | E | A | -1.4254 | |
| 584 | L | A | -0.0908 | |
| 585 | V | A | 0.0000 | |
| 586 | A | A | 0.0000 | |
| 587 | A | A | 0.0000 | |
| 588 | I | A | 0.0000 | |
| 589 | S | A | 0.0000 | |
| 590 | R | A | -0.4911 | |
| 591 | T | A | -0.1890 | |
| 592 | G | A | -0.2754 | |
| 593 | G | A | -0.5184 | |
| 594 | S | A | -0.2022 | |
| 595 | T | A | 0.0530 | |
| 596 | Y | A | 0.6563 | |
| 597 | Y | A | 0.3204 | |
| 598 | P | A | -0.3271 | |
| 599 | D | A | -1.8347 | |
| 600 | S | A | -0.5285 | |
| 601 | V | A | 0.0000 | |
| 602 | E | A | -1.9043 | |
| 603 | G | A | -0.8462 | |
| 604 | R | A | -0.3667 | |
| 605 | F | A | 0.0000 | |
| 606 | T | A | -0.1118 | |
| 607 | I | A | 0.0000 | |
| 608 | S | A | -0.1532 | |
| 609 | R | A | -0.2991 | |
| 610 | D | A | -0.4850 | |
| 611 | N | A | -0.5493 | |
| 612 | A | A | -0.3210 | |
| 613 | K | A | -1.8218 | |
| 614 | R | A | -1.0648 | |
| 615 | M | A | 0.0137 | |
| 616 | V | A | 0.0000 | |
| 617 | Y | A | 0.1998 | |
| 618 | L | A | 0.0000 | |
| 619 | Q | A | -0.9277 | |
| 620 | M | A | 0.0000 | |
| 621 | N | A | -0.5829 | |
| 622 | S | A | -0.3209 | |
| 623 | L | A | 0.0000 | |
| 624 | R | A | -0.9871 | |
| 625 | A | A | -0.4458 | |
| 626 | E | A | -1.8095 | |
| 627 | D | A | 0.0000 | |
| 628 | T | A | -0.0202 | |
| 629 | A | A | 0.0000 | |
| 630 | V | A | 0.2471 | |
| 631 | Y | A | 0.0000 | |
| 632 | Y | A | 0.1481 | |
| 633 | C | A | 0.0000 | |
| 634 | A | A | 0.0000 | |
| 635 | A | A | 0.0000 | |
| 636 | A | A | 0.0000 | |
| 637 | G | A | 0.1375 | |
| 638 | V | A | 1.0484 | |
| 639 | R | A | -1.5973 | |
| 640 | A | A | 0.0000 | |
| 641 | E | A | -2.0802 | |
| 642 | D | A | -1.8574 | |
| 643 | G | A | -1.0582 | |
| 644 | R | A | -1.8959 | |
| 645 | V | A | -0.2109 | |
| 646 | R | A | -0.1787 | |
| 647 | T | A | 0.2108 | |
| 648 | L | A | 1.5184 | |
| 649 | P | A | 0.1079 | |
| 650 | S | A | -0.3873 | |
| 651 | E | A | -0.8842 | |
| 652 | Y | A | 0.0000 | |
| 653 | T | A | -0.0249 | |
| 654 | F | A | 0.2917 | |
| 655 | W | A | 0.3257 | |
| 656 | G | A | -0.2174 | |
| 657 | Q | A | -1.2187 | |
| 658 | G | A | -0.2545 | |
| 659 | T | A | 0.0000 | |
| 660 | Q | A | -0.5428 | |
| 661 | V | A | 0.0000 | |
| 662 | T | A | 0.0078 | |
| 663 | V | A | 0.0000 | |
| 664 | S | A | -0.3522 | |
| 665 | D | A | -2.1089 | |
| 666 | K | A | -2.0713 | |
| 667 | S | A | -0.5429 | |
| 668 | T | A | -0.1567 | |
| 669 | G | A | -0.7831 | |
| 670 | K | A | -1.7981 | |
| 671 | P | A | -0.3849 | |
| 672 | T | A | 0.0371 | |
| 673 | L | A | 0.3559 | |
| 674 | Y | A | 0.0000 | |
| 675 | N | A | -0.6333 | |
| 676 | V | A | 0.0000 | |
| 677 | S | A | -0.0430 | |
| 678 | L | A | 0.0000 | |
| 679 | V | A | 0.4671 | |
| 680 | M | A | 0.0000 | |
| 681 | S | A | -0.3598 | |
| 682 | D | A | -1.7982 | |
| 683 | T | A | -0.3945 | |
| 684 | A | A | 0.0529 | |
| 685 | G | A | 0.0000 | |
| 686 | T | A | -0.0082 | |
| 687 | C | A | 0.0000 | |
| 688 | Y | A | -0.1517 | |
| 689 | E | A | -1.7861 | |
| 690 | A | A | -0.3270 | |
| 691 | A | A | -0.0672 | |
| 692 | A | A | -0.2489 | |
| 693 | K | A | -1.8319 | |
| 694 | E | A | -1.0897 | |
| 695 | A | A | -0.0994 | |
| 696 | A | A | 0.0658 | |
| 697 | A | A | -0.3723 | |
| 698 | K | A | -2.0289 | |
| 699 | E | A | -2.1238 | |
| 700 | A | A | -0.3001 | |
| 701 | A | A | 0.0225 | |
| 702 | A | A | -0.2402 | |
| 703 | K | A | -1.9792 | |
| 704 | E | A | -1.9124 | |
| 705 | V | A | 0.0000 | |
| 706 | Q | A | -0.4643 | |
| 707 | L | A | 0.0000 | |
| 708 | V | A | 1.5163 | |
| 709 | E | A | 0.0000 | |
| 710 | S | A | -0.0560 | |
| 711 | G | A | -0.0806 | |
| 712 | G | A | -0.0688 | |
| 713 | G | A | 0.0514 | |
| 714 | L | A | 0.6678 | |
| 715 | V | A | 0.0000 | |
| 716 | Q | A | -1.2163 | |
| 717 | P | A | -0.5233 | |
| 718 | G | A | -0.5039 | |
| 719 | G | A | -0.1827 | |
| 720 | S | A | -0.2598 | |
| 721 | L | A | -0.0866 | |
| 722 | R | A | -1.6274 | |
| 723 | L | A | 0.0000 | |
| 724 | S | A | 0.0000 | |
| 725 | C | A | 0.0000 | |
| 726 | A | A | 0.0168 | |
| 727 | A | A | 0.0000 | |
| 728 | S | A | -0.0956 | |
| 729 | G | A | -0.3992 | |
| 730 | R | A | -1.8546 | |
| 731 | T | A | -0.3469 | |
| 732 | F | A | 0.0000 | |
| 733 | S | A | 0.0256 | |
| 734 | Y | A | 0.4536 | |
| 735 | N | A | 0.0000 | |
| 736 | P | A | 0.0000 | |
| 737 | M | A | 0.0000 | |
| 738 | G | A | 0.0000 | |
| 739 | W | A | 0.0000 | |
| 740 | F | A | 0.0000 | |
| 741 | R | A | 0.0000 | |
| 742 | Q | A | -0.6785 | |
| 743 | A | A | -0.1318 | |
| 744 | P | A | -0.3371 | |
| 745 | G | A | -0.8138 | |
| 746 | K | A | -1.8683 | |
| 747 | G | A | -0.9986 | |
| 748 | R | A | -1.5953 | |
| 749 | E | A | -1.4959 | |
| 750 | L | A | -0.0891 | |
| 751 | V | A | 0.0000 | |
| 752 | A | A | 0.0000 | |
| 753 | A | A | 0.0000 | |
| 754 | I | A | 0.0000 | |
| 755 | S | A | 0.0000 | |
| 756 | R | A | -0.5037 | |
| 757 | T | A | -0.1911 | |
| 758 | G | A | -0.2741 | |
| 759 | G | A | -0.5175 | |
| 760 | S | A | -0.1992 | |
| 761 | T | A | 0.0524 | |
| 762 | Y | A | 0.6572 | |
| 763 | Y | A | 0.3094 | |
| 764 | P | A | -0.3308 | |
| 765 | D | A | -1.8361 | |
| 766 | S | A | -0.5344 | |
| 767 | V | A | 0.0000 | |
| 768 | E | A | -1.9045 | |
| 769 | G | A | -0.8458 | |
| 770 | R | A | -0.3607 | |
| 771 | F | A | 0.0000 | |
| 772 | T | A | -0.0465 | |
| 773 | I | A | 0.0000 | |
| 774 | S | A | -0.1592 | |
| 775 | R | A | -0.3037 | |
| 776 | D | A | -0.5059 | |
| 777 | N | A | -0.4782 | |
| 778 | A | A | -0.2010 | |
| 779 | K | A | -1.0151 | |
| 780 | R | A | 0.0000 | |
| 781 | M | A | 0.0000 | |
| 782 | V | A | 0.0000 | |
| 783 | Y | A | 0.1845 | |
| 784 | L | A | 0.0000 | |
| 785 | Q | A | -0.9153 | |
| 786 | M | A | 0.0000 | |
| 787 | N | A | -0.5992 | |
| 788 | S | A | -0.2297 | |
| 789 | L | A | 0.0000 | |
| 790 | R | A | -1.2025 | |
| 791 | A | A | -0.4852 | |
| 792 | E | A | -1.8094 | |
| 793 | D | A | 0.0000 | |
| 794 | T | A | -0.0213 | |
| 795 | A | A | 0.0000 | |
| 796 | V | A | 0.1829 | |
| 797 | Y | A | 0.0000 | |
| 798 | Y | A | 0.1450 | |
| 799 | C | A | 0.0000 | |
| 800 | A | A | 0.0000 | |
| 801 | A | A | 0.0000 | |
| 802 | A | A | 0.0000 | |
| 803 | G | A | -0.0341 | |
| 804 | V | A | 0.1172 | |
| 805 | R | A | -1.7619 | |
| 806 | A | A | 0.0000 | |
| 807 | E | A | -1.8869 | |
| 808 | D | A | -0.7843 | |
| 809 | G | A | -0.8634 | |
| 810 | R | A | -1.8633 | |
| 811 | V | A | -0.0499 | |
| 812 | R | A | -0.2157 | |
| 813 | T | A | 0.1938 | |
| 814 | L | A | 1.5169 | |
| 815 | P | A | 0.1015 | |
| 816 | S | A | -0.3578 | |
| 817 | E | A | -0.7110 | |
| 818 | Y | A | 0.0000 | |
| 819 | T | A | -0.0090 | |
| 820 | F | A | 0.2562 | |
| 821 | W | A | 0.2715 | |
| 822 | G | A | -0.2287 | |
| 823 | Q | A | -1.2210 | |
| 824 | G | A | -0.2676 | |
| 825 | T | A | -0.2387 | |
| 826 | Q | A | -1.1497 | |
| 827 | V | A | 0.0000 | |
| 828 | T | A | 0.0426 | |
| 829 | V | A | 0.0000 | |
| 830 | S | A | -0.3511 | |
| 831 | D | A | -2.1073 | |
| 832 | K | A | -2.0693 | |
| 833 | S | A | -0.5380 | |
| 834 | T | A | -0.1422 | |
| 835 | G | A | -0.7485 | |
| 836 | K | A | -1.7891 | |
| 837 | P | A | -0.3769 | |
| 838 | T | A | 0.0382 | |
| 839 | L | A | 0.4924 | |
| 840 | Y | A | 0.1883 | |
| 841 | N | A | -0.6151 | |
| 842 | V | A | 0.0000 | |
| 843 | S | A | -0.0833 | |
| 844 | L | A | 0.0000 | |
| 845 | V | A | 1.5242 | |
| 846 | M | A | 0.0000 | |
| 847 | S | A | -0.3905 | |
| 848 | D | A | -1.8053 | |
| 849 | T | A | -0.3402 | |
| 850 | A | A | 0.0000 | |
| 851 | G | A | -0.1759 | |
| 852 | T | A | 0.0269 | |
| 853 | C | A | 0.4329 | |
| 854 | Y | A | 0.4263 | |
| 1 | Q | B | -0.2293 | |
| 2 | E | B | -0.3533 | |
| 3 | D | B | -0.9220 | |
| 4 | E | B | -1.9486 | |
| 5 | R | B | -0.3814 | |
| 6 | I | B | 0.9579 | |
| 7 | V | B | 0.0000 | |
| 8 | L | B | 0.0000 | |
| 9 | V | B | 0.0000 | |
| 10 | D | B | -0.3015 | |
| 11 | N | B | -0.2134 | |
| 12 | K | B | 0.0000 | |
| 13 | C | B | 0.1186 | |
| 14 | K | B | 0.0000 | |
| 15 | C | B | 0.0000 | |
| 16 | A | B | 0.0000 | |
| 17 | R | B | 0.0000 | |
| 18 | I | B | 0.0000 | |
| 19 | T | B | 0.0000 | |
| 20 | S | B | 0.0000 | |
| 21 | R | B | -0.0505 | |
| 22 | I | B | 1.2486 | |
| 23 | I | B | 0.5227 | |
| 24 | R | B | -1.0879 | |
| 25 | S | B | 0.0000 | |
| 26 | S | B | -0.1387 | |
| 27 | E | B | -0.4906 | |
| 28 | D | B | -0.3943 | |
| 29 | P | B | -0.2011 | |
| 30 | N | B | -0.5307 | |
| 31 | E | B | -0.3621 | |
| 32 | D | B | -0.6741 | |
| 33 | I | B | 0.1679 | |
| 34 | V | B | 0.5071 | |
| 35 | E | B | -0.1293 | |
| 36 | R | B | 0.0000 | |
| 37 | N | B | 0.0000 | |
| 38 | I | B | 0.0000 | |
| 39 | R | B | -0.2314 | |
| 40 | I | B | 0.0000 | |
| 41 | I | B | 0.0000 | |
| 42 | V | B | 0.0000 | |
| 43 | P | B | 0.0000 | |
| 44 | L | B | 0.0000 | |
| 45 | N | B | -0.9264 | |
| 46 | N | B | 0.0000 | |
| 47 | R | B | -0.5303 | |
| 48 | E | B | -1.3647 | |
| 49 | N | B | -1.1605 | |
| 50 | I | B | 0.0000 | |
| 51 | S | B | -0.2158 | |
| 52 | D | B | -0.6361 | |
| 53 | P | B | -0.1435 | |
| 54 | T | B | -0.0324 | |
| 55 | S | B | -0.0706 | |
| 56 | P | B | -0.1335 | |
| 57 | L | B | 0.5739 | |
| 58 | R | B | 0.0000 | |
| 59 | T | B | -0.3445 | |
| 60 | R | B | -1.8958 | |
| 61 | F | B | 0.0000 | |
| 62 | V | B | 0.6454 | |
| 63 | Y | B | 0.0000 | |
| 64 | H | B | -0.3420 | |
| 65 | L | B | 0.0000 | |
| 66 | S | B | -0.0735 | |
| 67 | D | B | -0.2535 | |
| 68 | L | B | 0.0000 | |
| 69 | C | B | 0.0000 | |
| 70 | K | B | -0.2862 | |
| 71 | K | B | -0.1328 | |
| 72 | C | B | 0.1233 | |
| 73 | D | B | -1.7310 | |
| 74 | P | B | -0.5022 | |
| 75 | T | B | -0.3868 | |
| 76 | E | B | -1.7760 | |
| 77 | V | B | -0.3716 | |
| 78 | E | B | -1.5694 | |
| 79 | L | B | -0.4875 | |
| 80 | D | B | -1.9863 | |
| 81 | N | B | -1.8087 | |
| 82 | Q | B | -1.1940 | |
| 83 | I | B | 0.8668 | |
| 84 | V | B | 0.5875 | |
| 85 | T | B | -0.2316 | |
| 86 | A | B | 0.0000 | |
| 87 | T | B | -0.1421 | |
| 88 | Q | B | -0.5497 | |
| 89 | S | B | 0.0000 | |
| 90 | N | B | -0.1946 | |
| 91 | I | B | 1.3134 | |
| 92 | C | B | 0.0119 | |
| 93 | D | B | -2.0985 | |
| 94 | E | B | -2.4622 | |
| 95 | D | B | -2.1472 | |
| 96 | S | B | -0.4770 | |
| 97 | A | B | 0.0156 | |
| 98 | T | B | -0.2287 | |
| 99 | E | B | -0.9353 | |
| 100 | T | B | -0.1847 | |
| 101 | C | B | 0.1319 | |
| 102 | Y | B | 0.0000 | |
| 103 | T | B | 0.0000 | |
| 104 | Y | B | 0.0000 | |
| 105 | D | B | 0.0000 | |
| 106 | R | B | -0.5567 | |
| 107 | N | B | -0.5869 | |
| 108 | K | B | -1.6361 | |
| 109 | C | B | 0.2477 | |
| 110 | Y | B | 0.2650 | |
| 111 | T | B | 0.0023 | |
| 112 | A | B | 0.3321 | |
| 113 | V | B | 1.5001 | |
| 114 | V | B | 0.0000 | |
| 115 | P | B | 0.0602 | |
| 116 | L | B | 0.0000 | |
| 117 | V | B | 0.8124 | |
| 118 | Y | B | 0.5582 | |
| 119 | G | B | -0.4568 | |
| 120 | G | B | -0.8797 | |
| 121 | E | B | -1.9161 | |
| 122 | T | B | -0.4003 | |
| 123 | K | B | -0.3831 | |
| 124 | M | B | 0.9862 | |
| 125 | V | B | 0.1093 | |
| 126 | E | B | -1.5056 | |
| 127 | T | B | 0.0000 | |
| 128 | A | B | 0.0061 | |
| 129 | L | B | 0.0000 | |
| 130 | T | B | 0.0000 | |
| 131 | P | B | -0.2195 | |
| 132 | D | B | -1.0919 | |
| 133 | A | B | 0.0000 | |
| 134 | C | B | 0.2469 | |
| 135 | Y | B | 0.2081 | |
| 136 | P | B | -0.5387 | |
| 137 | D | B | -1.8358 |
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 | -0.2938 | 2.0398 | View | CSV | PDB |
| 4.5 | -0.3211 | 2.0398 | View | CSV | PDB |
| 5.0 | -0.3543 | 2.0398 | View | CSV | PDB |
| 5.5 | -0.3874 | 2.0398 | View | CSV | PDB |
| 6.0 | -0.4146 | 2.0398 | View | CSV | PDB |
| 6.5 | -0.4311 | 2.0398 | View | CSV | PDB |
| 7.0 | -0.4364 | 2.0398 | View | CSV | PDB |
| 7.5 | -0.4335 | 2.0398 | View | CSV | PDB |
| 8.0 | -0.4258 | 2.0398 | View | CSV | PDB |
| 8.5 | -0.4143 | 2.0398 | View | CSV | PDB |
| 9.0 | -0.3994 | 2.0398 | 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