| Chain sequence(s) |
A: ASEEEDKKEDVGTVVGIDLGTTYSCVGVFKNGRVEIIANDQGNRITPSYVAFTPEGERLIGDAAKNQLTSNPENTVFDAKRLIGRTWNDPSVQQDIKFLPFKVVEKKTKPYIQVDIGGGQTKTFAPEEISAMVLTKMKETAEAYLGKKVTHAVVTVPAYFNDAQRQATKDAGTIAGLNVMRIINEPTAAAIAYGLDKREGEKNILVFDLGGGTFDVSLLTIDNGVFEVVATNGDTHLGGEDFDQRVMEHFIKLYKKKTGKDVRKDNRAVQKLRREVEKAKRALSSQHQARIEIESFYEGEDFSETLTRAKFEELNMDLFRSTMKPVQKVLEDSDLKKSDIDEIVLVGGSTRIPKIQQLVKEFFNGKEPSRGINPDEAVAYGAAVQAGVLSGDQDTGDLVLLDVCPLTLGIETVGGVMTKLIPRNTVVPTKKSQIFSTASDNQPTVTIKVYEGERPLTKDNHLLGTFDLTGIPPAPRGVPQIEVTFEIDVNGILRVTAEDKGTGNKNKITITNDQNRLTPEEIERMVNDAEKFAEEDKKLKERIDTRNELESYAYSLKNQIGDKEKLGGKLSSEDKETMEKAVEEKIEWLESHQDADIEDFKAKKKELEEIVQPIISKLYGSAGPPPTGEEDTAEKDELLEHHHHHH
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage |
A: ASEEEDKKEDVGTVVGIDLGTTYSCVGVFKNGRVEIIANDQGNRITPSYVAFTPEGERLIGDAAKNQLTSNPENTVFDAKRLIGRTWNDPSVQQDIKFLPFKVVEKKTKPYIQVDIGGGQTKTFAPEEISAMVLTKMKETAEAYLGKKVTHAVVTVPAYFNDAQRQATKDAGTIAGLNVMRIINEPTAAAIAYGLDKREGEKNILVFDLGGGTFDVSLLTIDNGVFEVVATNGDTHLGGEDFDQRVMEHFIKLYKKKTGKDVRKDNRAVQKLRREVEKAKRALSSQHQARIEIESFYEGEDFSETLTRAKFEELNMDLFRSTMKPVQKVLEDSDLKKSDIDEIVLVGGSTRIPKIQQLVKEFFNGKEPSRGINPDEAVAYGAAVQAGVLSGDQDTGDLVLLDVCPLTLGIETVGGVMTKLIPRNTVVPTKKSQIFSTASDNQPTVTIKVYEGERPLTKDNHLLGTFDLTGIPPAPRGVPQIEVTFEIDVNGILRVTAEDKGTGNKNKITITNDQNRLTPEEIERMVNDAEKFAEEDKKLKERIDTRNELESYAYSLKNQIGDKEKLGGKLSSEDKETMEKAVEEKIEWLESHQDADIEDFKAKKKELEEIVQPIISKLYGSA GPPPTGEEDTAEKDELLEHHHHHH (Red indicates removed residues) |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB: Running AlphaCutter (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:24)
[INFO] FoldX: Starting FoldX energy minimization (00:00:24)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:23:08)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/1fa866ed4f1bf7d/tmp/folded.pdb (00:23:08)
[INFO] Main: Simulation completed successfully. (00:31:54)
|
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 | -0.8096 | |
| 2 | S | A | -1.8817 | |
| 3 | E | A | -3.7010 | |
| 4 | E | A | -4.4896 | |
| 5 | E | A | -5.0306 | |
| 6 | D | A | -5.1202 | |
| 7 | K | A | -5.0806 | |
| 8 | K | A | -4.6908 | |
| 9 | E | A | -4.2835 | |
| 10 | D | A | -3.4082 | |
| 11 | V | A | -1.8003 | |
| 12 | G | A | -1.5739 | |
| 13 | T | A | -0.9969 | |
| 14 | V | A | 0.0000 | |
| 15 | V | A | 0.0000 | |
| 16 | G | A | 0.0000 | |
| 17 | I | A | 0.0000 | |
| 18 | D | A | -0.1601 | |
| 19 | L | A | 0.0000 | |
| 20 | G | A | -0.0733 | |
| 21 | T | A | 0.0000 | |
| 22 | T | A | 0.0851 | |
| 23 | Y | A | 0.0476 | |
| 24 | S | A | 0.0000 | |
| 25 | C | A | 0.0000 | |
| 26 | V | A | 0.0000 | |
| 27 | G | A | 0.0000 | |
| 28 | V | A | 0.0000 | |
| 29 | F | A | 0.0000 | |
| 30 | K | A | -2.8200 | |
| 31 | N | A | -2.9999 | |
| 32 | G | A | -3.2021 | |
| 33 | R | A | -3.1630 | |
| 34 | V | A | 0.0000 | |
| 35 | E | A | -2.0293 | |
| 36 | I | A | 0.0000 | |
| 37 | I | A | 0.0000 | |
| 38 | A | A | -1.4909 | |
| 39 | N | A | -2.0439 | |
| 40 | D | A | -2.8497 | |
| 41 | Q | A | -2.6868 | |
| 42 | G | A | -2.1252 | |
| 43 | N | A | -1.9907 | |
| 44 | R | A | -1.9264 | |
| 45 | I | A | -0.5582 | |
| 46 | T | A | 0.0000 | |
| 47 | P | A | 0.0000 | |
| 48 | S | A | 0.0000 | |
| 49 | Y | A | 0.0000 | |
| 50 | V | A | 0.0000 | |
| 51 | A | A | 0.0000 | |
| 52 | F | A | 0.0000 | |
| 53 | T | A | -1.3087 | |
| 54 | P | A | -1.6644 | |
| 55 | E | A | -2.4264 | |
| 56 | G | A | -1.9229 | |
| 57 | E | A | -1.6909 | |
| 58 | R | A | 0.0000 | |
| 59 | L | A | -0.3267 | |
| 60 | I | A | 0.0000 | |
| 61 | G | A | 0.0000 | |
| 62 | D | A | -1.1144 | |
| 63 | A | A | -0.7272 | |
| 64 | A | A | 0.0000 | |
| 65 | K | A | -1.0361 | |
| 66 | N | A | -1.6171 | |
| 67 | Q | A | -0.9948 | |
| 68 | L | A | 0.0000 | |
| 69 | T | A | -1.4512 | |
| 70 | S | A | -1.1966 | |
| 71 | N | A | -1.2526 | |
| 72 | P | A | 0.0000 | |
| 73 | E | A | -2.1661 | |
| 74 | N | A | -1.3823 | |
| 75 | T | A | 0.0000 | |
| 76 | V | A | 0.0000 | |
| 77 | F | A | 0.0000 | |
| 78 | D | A | 0.0000 | |
| 79 | A | A | 0.0000 | |
| 80 | K | A | 0.0000 | |
| 81 | R | A | 0.0000 | |
| 82 | L | A | 0.0000 | |
| 83 | I | A | 0.0000 | |
| 84 | G | A | -0.4894 | |
| 85 | R | A | -0.5116 | |
| 86 | T | A | -1.2917 | |
| 87 | W | A | -1.4848 | |
| 88 | N | A | -1.7278 | |
| 89 | D | A | -1.3230 | |
| 90 | P | A | -1.1062 | |
| 91 | S | A | -0.8381 | |
| 92 | V | A | 0.0000 | |
| 93 | Q | A | -1.3323 | |
| 94 | Q | A | -1.3582 | |
| 95 | D | A | 0.0000 | |
| 96 | I | A | -0.7083 | |
| 97 | K | A | -1.5676 | |
| 98 | F | A | -0.1202 | |
| 99 | L | A | -0.4078 | |
| 100 | P | A | -1.1371 | |
| 101 | F | A | 0.0000 | |
| 102 | K | A | -1.9977 | |
| 103 | V | A | -1.1161 | |
| 104 | V | A | -1.2591 | |
| 105 | E | A | -2.5892 | |
| 106 | K | A | -2.8108 | |
| 107 | K | A | -2.9158 | |
| 108 | T | A | -2.0571 | |
| 109 | K | A | 0.0000 | |
| 110 | P | A | 0.0000 | |
| 111 | Y | A | -1.0341 | |
| 112 | I | A | 0.0000 | |
| 113 | Q | A | -1.3209 | |
| 114 | V | A | 0.0000 | |
| 115 | D | A | -1.7267 | |
| 116 | I | A | -1.4149 | |
| 117 | G | A | -1.9203 | |
| 118 | G | A | -1.6641 | |
| 119 | G | A | -1.7319 | |
| 120 | Q | A | -1.9032 | |
| 121 | T | A | -1.3896 | |
| 122 | K | A | -1.0597 | |
| 123 | T | A | -0.8660 | |
| 124 | F | A | 0.0000 | |
| 125 | A | A | 0.0000 | |
| 126 | P | A | 0.0000 | |
| 127 | E | A | 0.0000 | |
| 128 | E | A | 0.0000 | |
| 129 | I | A | 0.0000 | |
| 130 | S | A | 0.0000 | |
| 131 | A | A | 0.0000 | |
| 132 | M | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | L | A | 0.0000 | |
| 135 | T | A | -0.7346 | |
| 136 | K | A | -0.7694 | |
| 137 | M | A | 0.0000 | |
| 138 | K | A | -0.9966 | |
| 139 | E | A | -1.7928 | |
| 140 | T | A | 0.0000 | |
| 141 | A | A | 0.0000 | |
| 142 | E | A | 0.0000 | |
| 143 | A | A | -0.7320 | |
| 144 | Y | A | 0.1273 | |
| 145 | L | A | -0.4354 | |
| 146 | G | A | -1.0406 | |
| 147 | K | A | -2.1618 | |
| 148 | K | A | -2.5485 | |
| 149 | V | A | 0.0000 | |
| 150 | T | A | -1.2477 | |
| 151 | H | A | 0.0000 | |
| 152 | A | A | 0.0000 | |
| 153 | V | A | 0.0000 | |
| 154 | V | A | 0.0000 | |
| 155 | T | A | 0.0000 | |
| 156 | V | A | 0.0000 | |
| 157 | P | A | 0.0000 | |
| 158 | A | A | 0.0000 | |
| 159 | Y | A | -0.0721 | |
| 160 | F | A | 0.0000 | |
| 161 | N | A | -0.4261 | |
| 162 | D | A | -0.6625 | |
| 163 | A | A | -0.6071 | |
| 164 | Q | A | 0.0000 | |
| 165 | R | A | 0.0000 | |
| 166 | Q | A | -0.6832 | |
| 167 | A | A | 0.0000 | |
| 168 | T | A | 0.0000 | |
| 169 | K | A | -0.6087 | |
| 170 | D | A | 0.0000 | |
| 171 | A | A | 0.0000 | |
| 172 | G | A | 0.0000 | |
| 173 | T | A | -0.7051 | |
| 174 | I | A | 0.0000 | |
| 175 | A | A | 0.0000 | |
| 176 | G | A | -0.8999 | |
| 177 | L | A | 0.0000 | |
| 178 | N | A | -1.2690 | |
| 179 | V | A | 0.0000 | |
| 180 | M | A | -0.1190 | |
| 181 | R | A | -0.0219 | |
| 182 | I | A | 0.0000 | |
| 183 | I | A | 0.0000 | |
| 184 | N | A | 0.0000 | |
| 185 | E | A | 0.0000 | |
| 186 | P | A | 0.0000 | |
| 187 | T | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | A | A | 0.0000 | |
| 190 | A | A | 0.0000 | |
| 191 | I | A | 0.0000 | |
| 192 | A | A | -0.1027 | |
| 193 | Y | A | 0.0000 | |
| 194 | G | A | 0.0000 | |
| 195 | L | A | -1.4954 | |
| 196 | D | A | -2.8614 | |
| 197 | K | A | -3.4380 | |
| 198 | R | A | -4.2127 | |
| 199 | E | A | -3.9388 | |
| 200 | G | A | -3.0910 | |
| 201 | E | A | -3.2843 | |
| 202 | K | A | -2.5088 | |
| 203 | N | A | -1.2887 | |
| 204 | I | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | V | A | 0.0000 | |
| 207 | F | A | 0.0000 | |
| 208 | D | A | 0.0000 | |
| 209 | L | A | 0.0000 | |
| 210 | G | A | -0.2808 | |
| 211 | G | A | -0.1999 | |
| 212 | G | A | 0.0000 | |
| 213 | T | A | 0.0000 | |
| 214 | F | A | 0.0000 | |
| 215 | D | A | 0.0000 | |
| 216 | V | A | 0.0000 | |
| 217 | S | A | 0.0000 | |
| 218 | L | A | 0.0000 | |
| 219 | L | A | 0.0000 | |
| 220 | T | A | -0.8033 | |
| 221 | I | A | 0.0000 | |
| 222 | D | A | -2.4964 | |
| 223 | N | A | -2.8824 | |
| 224 | G | A | 0.0000 | |
| 225 | V | A | 0.1246 | |
| 226 | F | A | 0.0000 | |
| 227 | E | A | 0.0452 | |
| 228 | V | A | 0.0000 | |
| 229 | V | A | 0.3693 | |
| 230 | A | A | 0.0000 | |
| 231 | T | A | 0.0000 | |
| 232 | N | A | 0.0000 | |
| 233 | G | A | -0.7500 | |
| 234 | D | A | -1.0887 | |
| 235 | T | A | -0.5008 | |
| 236 | H | A | -0.5432 | |
| 237 | L | A | 0.0000 | |
| 238 | G | A | 0.0000 | |
| 239 | G | A | 0.0000 | |
| 240 | E | A | 0.0000 | |
| 241 | D | A | -0.4890 | |
| 242 | F | A | 0.0000 | |
| 243 | D | A | 0.0000 | |
| 244 | Q | A | -0.5562 | |
| 245 | R | A | -0.8433 | |
| 246 | V | A | 0.0000 | |
| 247 | M | A | 0.0000 | |
| 248 | E | A | -1.2186 | |
| 249 | H | A | -0.9631 | |
| 250 | F | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | K | A | -2.9860 | |
| 253 | L | A | -2.1725 | |
| 254 | Y | A | 0.0000 | |
| 255 | K | A | -3.6303 | |
| 256 | K | A | -3.6871 | |
| 257 | K | A | -3.2532 | |
| 258 | T | A | -2.3597 | |
| 259 | G | A | -2.6132 | |
| 260 | K | A | -3.1590 | |
| 261 | D | A | -2.7225 | |
| 262 | V | A | 0.0000 | |
| 263 | R | A | -2.9176 | |
| 264 | K | A | -3.0759 | |
| 265 | D | A | -2.7871 | |
| 266 | N | A | -2.5154 | |
| 267 | R | A | -2.8446 | |
| 268 | A | A | 0.0000 | |
| 269 | V | A | -1.3624 | |
| 270 | Q | A | 0.0000 | |
| 271 | K | A | -1.6671 | |
| 272 | L | A | 0.0000 | |
| 273 | R | A | 0.0000 | |
| 274 | R | A | -1.6794 | |
| 275 | E | A | -2.5100 | |
| 276 | V | A | 0.0000 | |
| 277 | E | A | -2.0939 | |
| 278 | K | A | -3.1054 | |
| 279 | A | A | 0.0000 | |
| 280 | K | A | -2.1699 | |
| 281 | R | A | -3.1046 | |
| 282 | A | A | -2.4642 | |
| 283 | L | A | 0.0000 | |
| 284 | S | A | -1.8766 | |
| 285 | S | A | -1.7479 | |
| 286 | Q | A | -2.4897 | |
| 287 | H | A | -2.3857 | |
| 288 | Q | A | -2.7069 | |
| 289 | A | A | -2.8077 | |
| 290 | R | A | -2.9756 | |
| 291 | I | A | 0.0000 | |
| 292 | E | A | -3.3997 | |
| 293 | I | A | 0.0000 | |
| 294 | E | A | -3.4358 | |
| 295 | S | A | -3.0089 | |
| 296 | F | A | 0.0000 | |
| 297 | Y | A | 0.0000 | |
| 298 | E | A | -2.8830 | |
| 299 | G | A | -2.7319 | |
| 300 | E | A | -3.2890 | |
| 301 | D | A | -3.9034 | |
| 302 | F | A | 0.0000 | |
| 303 | S | A | -2.2812 | |
| 304 | E | A | -1.3140 | |
| 305 | T | A | -1.6159 | |
| 306 | L | A | 0.0000 | |
| 307 | T | A | -1.9414 | |
| 308 | R | A | -1.8887 | |
| 309 | A | A | -1.3658 | |
| 310 | K | A | -1.6725 | |
| 311 | F | A | 0.0000 | |
| 312 | E | A | -1.5123 | |
| 313 | E | A | -2.2403 | |
| 314 | L | A | -1.2509 | |
| 315 | N | A | 0.0000 | |
| 316 | M | A | -1.6989 | |
| 317 | D | A | -2.2006 | |
| 318 | L | A | -1.1341 | |
| 319 | F | A | 0.0000 | |
| 320 | R | A | -2.5228 | |
| 321 | S | A | -1.8586 | |
| 322 | T | A | 0.0000 | |
| 323 | M | A | -1.3791 | |
| 324 | K | A | -2.4124 | |
| 325 | P | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | Q | A | -2.0720 | |
| 328 | K | A | -2.2293 | |
| 329 | V | A | 0.0000 | |
| 330 | L | A | 0.0000 | |
| 331 | E | A | -3.1824 | |
| 332 | D | A | -2.1272 | |
| 333 | S | A | -1.7322 | |
| 334 | D | A | -2.7875 | |
| 335 | L | A | -2.2739 | |
| 336 | K | A | -2.8656 | |
| 337 | K | A | -2.4384 | |
| 338 | S | A | -1.7994 | |
| 339 | D | A | -1.8349 | |
| 340 | I | A | 0.0000 | |
| 341 | D | A | -2.0128 | |
| 342 | E | A | -1.5360 | |
| 343 | I | A | 0.0000 | |
| 344 | V | A | 0.0000 | |
| 345 | L | A | -0.4969 | |
| 346 | V | A | 0.0000 | |
| 347 | G | A | -0.7514 | |
| 348 | G | A | -1.1897 | |
| 349 | S | A | 0.0000 | |
| 350 | T | A | 0.0000 | |
| 351 | R | A | -1.9536 | |
| 352 | I | A | 0.0000 | |
| 353 | P | A | -0.9417 | |
| 354 | K | A | -1.0954 | |
| 355 | I | A | 0.0000 | |
| 356 | Q | A | -1.6375 | |
| 357 | Q | A | -1.7118 | |
| 358 | L | A | -1.5219 | |
| 359 | V | A | 0.0000 | |
| 360 | K | A | -2.8308 | |
| 361 | E | A | -3.0519 | |
| 362 | F | A | -1.6230 | |
| 363 | F | A | 0.0000 | |
| 364 | N | A | -2.7727 | |
| 365 | G | A | -2.7043 | |
| 366 | K | A | -2.9673 | |
| 367 | E | A | -3.2628 | |
| 368 | P | A | -1.9790 | |
| 369 | S | A | -1.7134 | |
| 370 | R | A | -2.3234 | |
| 371 | G | A | -1.3739 | |
| 372 | I | A | -0.8654 | |
| 373 | N | A | -1.1400 | |
| 374 | P | A | -0.9754 | |
| 375 | D | A | -1.1872 | |
| 376 | E | A | -0.7526 | |
| 377 | A | A | 0.0000 | |
| 378 | V | A | 0.0000 | |
| 379 | A | A | 0.0000 | |
| 380 | Y | A | -0.2633 | |
| 381 | G | A | 0.0000 | |
| 382 | A | A | 0.0000 | |
| 383 | A | A | 0.0000 | |
| 384 | V | A | 0.0000 | |
| 385 | Q | A | 0.0000 | |
| 386 | A | A | 0.0000 | |
| 387 | G | A | 0.0000 | |
| 388 | V | A | -0.3962 | |
| 389 | L | A | 0.3430 | |
| 390 | S | A | -0.6093 | |
| 391 | G | A | -1.2779 | |
| 392 | D | A | -2.6418 | |
| 393 | Q | A | -3.0241 | |
| 394 | D | A | -3.8340 | |
| 395 | T | A | 0.0000 | |
| 396 | G | A | -2.4584 | |
| 397 | D | A | -2.0015 | |
| 398 | L | A | 0.0064 | |
| 399 | V | A | 1.0450 | |
| 400 | L | A | 1.1685 | |
| 401 | L | A | 1.1607 | |
| 402 | D | A | 0.0000 | |
| 403 | V | A | 0.0000 | |
| 404 | C | A | 0.0000 | |
| 405 | P | A | 0.0000 | |
| 406 | L | A | 0.0000 | |
| 407 | T | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | G | A | 0.0000 | |
| 410 | I | A | 0.0000 | |
| 411 | E | A | 0.0902 | |
| 412 | T | A | 1.0028 | |
| 413 | V | A | 1.8142 | |
| 414 | G | A | 0.7741 | |
| 415 | G | A | 0.6257 | |
| 416 | V | A | 1.6217 | |
| 417 | M | A | 0.0072 | |
| 418 | T | A | -0.3617 | |
| 419 | K | A | -1.7787 | |
| 420 | L | A | 0.0000 | |
| 421 | I | A | 0.0000 | |
| 422 | P | A | -0.8856 | |
| 423 | R | A | -1.0280 | |
| 424 | N | A | -0.1466 | |
| 425 | T | A | 0.3546 | |
| 426 | V | A | 1.1850 | |
| 427 | V | A | 0.0000 | |
| 428 | P | A | -0.0964 | |
| 429 | T | A | -0.9849 | |
| 430 | K | A | -2.7381 | |
| 431 | K | A | -2.1200 | |
| 432 | S | A | -1.0504 | |
| 433 | Q | A | -0.1113 | |
| 434 | I | A | 0.5626 | |
| 435 | F | A | 0.4539 | |
| 436 | S | A | -0.2872 | |
| 437 | T | A | 0.0000 | |
| 438 | A | A | -0.9324 | |
| 439 | S | A | -2.3103 | |
| 440 | D | A | -3.4242 | |
| 441 | N | A | -2.8147 | |
| 442 | Q | A | -2.1568 | |
| 443 | P | A | -1.1926 | |
| 444 | T | A | -0.6717 | |
| 445 | V | A | 0.0000 | |
| 446 | T | A | -0.4376 | |
| 447 | I | A | 0.0000 | |
| 448 | K | A | -0.8835 | |
| 449 | V | A | 0.0000 | |
| 450 | Y | A | -0.9193 | |
| 451 | E | A | -1.1364 | |
| 452 | G | A | -1.6720 | |
| 453 | E | A | -2.4672 | |
| 454 | R | A | -2.7218 | |
| 455 | P | A | -1.2865 | |
| 456 | L | A | -0.4910 | |
| 457 | T | A | 0.0000 | |
| 458 | K | A | -2.1314 | |
| 459 | D | A | -2.4502 | |
| 460 | N | A | -1.9225 | |
| 461 | H | A | -1.2689 | |
| 462 | L | A | -0.3334 | |
| 463 | L | A | 0.0000 | |
| 464 | G | A | 0.0000 | |
| 465 | T | A | -1.1173 | |
| 466 | F | A | 0.0000 | |
| 467 | D | A | -1.0705 | |
| 468 | L | A | 0.0000 | |
| 469 | T | A | -0.6713 | |
| 470 | G | A | -1.0997 | |
| 471 | I | A | 0.0000 | |
| 472 | P | A | -0.7897 | |
| 473 | P | A | -1.5109 | |
| 474 | A | A | -1.4858 | |
| 475 | P | A | -2.0802 | |
| 476 | R | A | -2.9542 | |
| 477 | G | A | -1.2618 | |
| 478 | V | A | -0.1807 | |
| 479 | P | A | 0.0000 | |
| 480 | Q | A | -0.9807 | |
| 481 | I | A | 0.0000 | |
| 482 | E | A | -0.7145 | |
| 483 | V | A | 0.0000 | |
| 484 | T | A | -1.2175 | |
| 485 | F | A | 0.0000 | |
| 486 | E | A | -2.1126 | |
| 487 | I | A | 0.0000 | |
| 488 | D | A | -0.5506 | |
| 489 | V | A | 0.9570 | |
| 490 | N | A | 0.0000 | |
| 491 | G | A | -0.1337 | |
| 492 | I | A | 0.0000 | |
| 493 | L | A | 0.0000 | |
| 494 | R | A | -2.0931 | |
| 495 | V | A | -1.1081 | |
| 496 | T | A | -0.8751 | |
| 497 | A | A | 0.0000 | |
| 498 | E | A | -2.6408 | |
| 499 | D | A | 0.0000 | |
| 500 | K | A | -2.8263 | |
| 501 | G | A | -1.8719 | |
| 502 | T | A | -1.9954 | |
| 503 | G | A | -2.3909 | |
| 504 | N | A | -3.3866 | |
| 505 | K | A | -4.0248 | |
| 506 | N | A | -3.8270 | |
| 507 | K | A | -3.1927 | |
| 508 | I | A | 0.0000 | |
| 509 | T | A | -0.8347 | |
| 510 | I | A | -0.6370 | |
| 511 | T | A | -0.8616 | |
| 512 | N | A | -1.8353 | |
| 513 | D | A | -2.6627 | |
| 514 | Q | A | -2.1903 | |
| 515 | N | A | -2.1640 | |
| 516 | R | A | -2.1727 | |
| 517 | L | A | 0.0000 | |
| 518 | T | A | -1.9076 | |
| 519 | P | A | -2.3355 | |
| 520 | E | A | -3.5424 | |
| 521 | E | A | -3.3775 | |
| 522 | I | A | 0.0000 | |
| 523 | E | A | -4.0965 | |
| 524 | R | A | -4.3335 | |
| 525 | M | A | -2.8025 | |
| 526 | V | A | -2.9623 | |
| 527 | N | A | -3.8163 | |
| 528 | D | A | -3.2328 | |
| 529 | A | A | -2.6998 | |
| 530 | E | A | -4.0321 | |
| 531 | K | A | -4.0864 | |
| 532 | F | A | -3.1265 | |
| 533 | A | A | -3.3503 | |
| 534 | E | A | -4.2238 | |
| 535 | E | A | -4.5189 | |
| 536 | D | A | -3.7016 | |
| 537 | K | A | -4.3752 | |
| 538 | K | A | -4.4576 | |
| 539 | L | A | -3.1013 | |
| 540 | K | A | -3.6574 | |
| 541 | E | A | -4.1508 | |
| 542 | R | A | -3.7375 | |
| 543 | I | A | -2.7903 | |
| 544 | D | A | -3.6096 | |
| 545 | T | A | -3.3117 | |
| 546 | R | A | -3.3051 | |
| 547 | N | A | -2.9377 | |
| 548 | E | A | -3.2431 | |
| 549 | L | A | 0.0000 | |
| 550 | E | A | -2.1535 | |
| 551 | S | A | -1.3209 | |
| 552 | Y | A | -1.0512 | |
| 553 | A | A | 0.0000 | |
| 554 | Y | A | -0.5172 | |
| 555 | S | A | -0.7898 | |
| 556 | L | A | 0.0000 | |
| 557 | K | A | -2.3207 | |
| 558 | N | A | -2.2389 | |
| 559 | Q | A | -2.5507 | |
| 560 | I | A | 0.0000 | |
| 561 | G | A | -2.7099 | |
| 562 | D | A | -3.5268 | |
| 563 | K | A | -4.1257 | |
| 564 | E | A | -4.1287 | |
| 565 | K | A | -3.8843 | |
| 566 | L | A | -2.6191 | |
| 567 | G | A | -3.1432 | |
| 568 | G | A | -3.3643 | |
| 569 | K | A | -2.9330 | |
| 570 | L | A | -2.2257 | |
| 571 | S | A | -1.7798 | |
| 572 | S | A | -2.1665 | |
| 573 | E | A | -3.1230 | |
| 574 | D | A | -2.8120 | |
| 575 | K | A | -3.0881 | |
| 576 | E | A | -3.7830 | |
| 577 | T | A | -2.6454 | |
| 578 | M | A | 0.0000 | |
| 579 | E | A | -4.0247 | |
| 580 | K | A | -4.0560 | |
| 581 | A | A | 0.0000 | |
| 582 | V | A | 0.0000 | |
| 583 | E | A | -3.8713 | |
| 584 | E | A | -3.7905 | |
| 585 | K | A | 0.0000 | |
| 586 | I | A | 0.0000 | |
| 587 | E | A | -3.5336 | |
| 588 | W | A | -2.3722 | |
| 589 | L | A | 0.0000 | |
| 590 | E | A | -3.0852 | |
| 591 | S | A | -2.1418 | |
| 592 | H | A | -2.5563 | |
| 593 | Q | A | -2.4488 | |
| 594 | D | A | -2.9218 | |
| 595 | A | A | -2.5185 | |
| 596 | D | A | -3.4587 | |
| 597 | I | A | -2.7985 | |
| 598 | E | A | -3.0295 | |
| 599 | D | A | -3.1446 | |
| 600 | F | A | 0.0000 | |
| 601 | K | A | -3.1995 | |
| 602 | A | A | -2.5369 | |
| 603 | K | A | -2.6985 | |
| 604 | K | A | -3.3459 | |
| 605 | K | A | -3.7640 | |
| 606 | E | A | -3.2607 | |
| 607 | L | A | 0.0000 | |
| 608 | E | A | -3.3089 | |
| 609 | E | A | -3.4415 | |
| 610 | I | A | -1.5830 | |
| 611 | V | A | 0.0000 | |
| 612 | Q | A | -2.1633 | |
| 613 | P | A | -1.5363 | |
| 614 | I | A | 0.0000 | |
| 615 | I | A | -0.6117 | |
| 616 | S | A | -0.8274 | |
| 617 | K | A | -1.5587 | |
| 618 | L | A | -0.4410 | |
| 619 | Y | A | 0.6232 | |
| 620 | G | A | -0.4686 | |
| 621 | S | A | -0.4360 | |
| 622 | A | A | 0.0303 |
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 | -1.1433 | 2.0972 | View | CSV | PDB |
| 4.5 | -1.2374 | 2.0382 | View | CSV | PDB |
| 5.0 | -1.3553 | 2.0382 | View | CSV | PDB |
| 5.5 | -1.4751 | 2.0382 | View | CSV | PDB |
| 6.0 | -1.5712 | 2.0382 | View | CSV | PDB |
| 6.5 | -1.6235 | 2.0382 | View | CSV | PDB |
| 7.0 | -1.6292 | 2.0382 | View | CSV | PDB |
| 7.5 | -1.6014 | 2.0382 | View | CSV | PDB |
| 8.0 | -1.5549 | 2.0382 | View | CSV | PDB |
| 8.5 | -1.4962 | 2.0879 | View | CSV | PDB |
| 9.0 | -1.4264 | 2.2058 | 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