| Chain sequence(s) |
A: SAATAAQVEALVADFRAELARLLAAARAATTPAELEAILREIAAAIDRYSAQLTALGAPALADALAAAAVREVRAVLEAL
B: QIPASHPVLTLSPEKALNFEGTKVTLHCETQEDSLRTLYRFYHEGVPLRHKSVRCERGASISFSLTTENSGNYYCTADNGLGAKPSKAVSLSVTVPVSHPVLNLSSPEDLIFEGAKVTLHCEAQRGSLPILYQFHHEGAALERRSANSAGGVAISFSLTAEHSGNYYCTADNGFGPQRSKAVSLSVTVPVSHPVLTLSSAEALTFEGATVTLHCEVQRGSPQILYQFYHEDMPLWSSSTPSVGRVSFSFSLTEGHSGNYYCTADNGFGPQRSEVVSLFVTVPVSRPILTLRVPRAQAVVGDLLELHCEAPRGSPPILYWFYHEDVTLGSSSAPSGGEASFNLSLTAEHSGNYSCEANNGLVAQHSDTISLSVIVPVSRPILTFRAPRAQAVVGDLLELHCEALRGSSPILYWFYHEDVTLGKISAPSGGGASFNLSLTTEHSGIYSCEADNGLEAQRSEMVTLKVAVPVSRPVLTLRAPGTHAAVGDLLELHCEALRGSPLILYRFFHEDVTLGNRSSPSGGASLNLSLTAEHSGNYSCEADNGLGAQRSETVTLYITGLTANRSGPFATGVAGGLLSIAGLAAGALLLYCWLSRKAGRKPASDPARSPSDSDSQEPTYHNVPAWEELQPVYTNANPRGENVVYSEVRIIQEKKKHAVASDPRHLRNKGSPIIYSEVKVASTPVSGSLFLASSAPHR 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] (00:00:00)
[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 all 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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:06:23)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/15b585979cd14ea/tmp/folded.pdb (00:06:23)
[INFO] Main: Simulation completed successfully. (00:15:57)
|
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 | S | A | -0.1563 | |
| 2 | A | A | -0.0989 | |
| 3 | A | A | -0.1348 | |
| 4 | T | A | -0.4505 | |
| 5 | A | A | -0.5701 | |
| 6 | A | A | -0.8369 | |
| 7 | Q | A | -1.1607 | |
| 8 | V | A | -1.1304 | |
| 9 | E | A | -2.1067 | |
| 10 | A | A | -1.5944 | |
| 11 | L | A | -1.4991 | |
| 12 | V | A | 0.0000 | |
| 13 | A | A | -1.9070 | |
| 14 | D | A | -2.5412 | |
| 15 | F | A | 0.0000 | |
| 16 | R | A | -2.6245 | |
| 17 | A | A | -2.0096 | |
| 18 | E | A | -1.9399 | |
| 19 | L | A | -1.8131 | |
| 20 | A | A | -1.7102 | |
| 21 | R | A | -2.0806 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | A | A | -1.1437 | |
| 25 | A | A | -1.0023 | |
| 26 | A | A | 0.0000 | |
| 27 | R | A | -1.4400 | |
| 28 | A | A | -0.7804 | |
| 29 | A | A | -0.7642 | |
| 30 | T | A | -0.5709 | |
| 31 | T | A | -0.6018 | |
| 32 | P | A | -0.7371 | |
| 33 | A | A | -0.8330 | |
| 34 | E | A | -1.4876 | |
| 35 | L | A | -1.3764 | |
| 36 | E | A | -1.8060 | |
| 37 | A | A | -1.5798 | |
| 38 | I | A | -1.4720 | |
| 39 | L | A | 0.0000 | |
| 40 | R | A | -2.7141 | |
| 41 | E | A | -2.1734 | |
| 42 | I | A | 0.0000 | |
| 43 | A | A | 0.0000 | |
| 44 | A | A | -1.5487 | |
| 45 | A | A | -1.3180 | |
| 46 | I | A | 0.0000 | |
| 47 | D | A | -1.5407 | |
| 48 | R | A | -2.1626 | |
| 49 | Y | A | -1.2679 | |
| 50 | S | A | 0.0000 | |
| 51 | A | A | -1.1570 | |
| 52 | Q | A | -1.3420 | |
| 53 | L | A | 0.0000 | |
| 54 | T | A | -0.4366 | |
| 55 | A | A | -0.2262 | |
| 56 | L | A | -0.1093 | |
| 57 | G | A | -0.3091 | |
| 58 | A | A | -0.0921 | |
| 59 | P | A | -0.1867 | |
| 60 | A | A | 0.1021 | |
| 61 | L | A | 0.5004 | |
| 62 | A | A | 0.0000 | |
| 63 | D | A | -0.2028 | |
| 64 | A | A | 0.1906 | |
| 65 | L | A | -0.1522 | |
| 66 | A | A | 0.0000 | |
| 67 | A | A | -0.6622 | |
| 68 | A | A | -1.0005 | |
| 69 | A | A | 0.0000 | |
| 70 | V | A | 0.0000 | |
| 71 | R | A | -2.6305 | |
| 72 | E | A | -2.5153 | |
| 73 | V | A | 0.0000 | |
| 74 | R | A | 0.0000 | |
| 75 | A | A | -0.9979 | |
| 76 | V | A | 0.0000 | |
| 77 | L | A | 0.0000 | |
| 78 | E | A | -0.1777 | |
| 79 | A | A | 0.0923 | |
| 80 | L | A | 0.5997 | |
| 1 | Q | B | -0.2090 | |
| 2 | I | B | 1.2114 | |
| 3 | P | B | 0.0944 | |
| 4 | A | B | 0.0000 | |
| 5 | S | B | -1.2636 | |
| 6 | H | B | -1.6177 | |
| 7 | P | B | 0.0000 | |
| 8 | V | B | 0.6493 | |
| 9 | L | B | 0.0000 | |
| 10 | T | B | -0.2061 | |
| 11 | L | B | -0.8844 | |
| 12 | S | B | -1.4797 | |
| 13 | P | B | -1.6196 | |
| 14 | E | B | -2.5104 | |
| 15 | K | B | -2.3303 | |
| 16 | A | B | 0.0000 | |
| 17 | L | B | 0.3255 | |
| 18 | N | B | -0.1661 | |
| 19 | F | B | 0.2739 | |
| 20 | E | B | -1.3601 | |
| 21 | G | B | -1.1416 | |
| 22 | T | B | 0.0000 | |
| 23 | K | B | -1.7304 | |
| 24 | V | B | 0.0000 | |
| 25 | T | B | -0.7799 | |
| 26 | L | B | 0.0000 | |
| 27 | H | B | -0.4105 | |
| 28 | C | B | 0.0000 | |
| 29 | E | B | -1.9130 | |
| 30 | T | B | 0.0000 | |
| 31 | Q | B | -2.9800 | |
| 32 | E | B | -3.5336 | |
| 33 | D | B | -4.1954 | |
| 34 | S | B | -2.4369 | |
| 35 | L | B | -1.0308 | |
| 36 | R | B | -2.0218 | |
| 37 | T | B | 0.0000 | |
| 38 | L | B | -0.9722 | |
| 39 | Y | B | 0.0000 | |
| 40 | R | B | -1.3887 | |
| 41 | F | B | 0.0000 | |
| 42 | Y | B | -0.3824 | |
| 43 | H | B | -0.6495 | |
| 44 | E | B | -1.7616 | |
| 45 | G | B | -0.5198 | |
| 46 | V | B | 0.8398 | |
| 47 | P | B | -0.1578 | |
| 48 | L | B | -1.0398 | |
| 49 | R | B | -2.3755 | |
| 50 | H | B | -2.4285 | |
| 51 | K | B | -2.5532 | |
| 52 | S | B | -1.5074 | |
| 53 | V | B | -0.8456 | |
| 54 | R | B | -1.5662 | |
| 55 | C | B | -1.5997 | |
| 56 | E | B | -3.0562 | |
| 57 | R | B | -3.5571 | |
| 58 | G | B | 0.0000 | |
| 59 | A | B | 0.0000 | |
| 60 | S | B | -0.7460 | |
| 61 | I | B | 0.0000 | |
| 62 | S | B | -0.5601 | |
| 63 | F | B | -0.4973 | |
| 64 | S | B | -1.0607 | |
| 65 | L | B | 0.0000 | |
| 66 | T | B | -1.3634 | |
| 67 | T | B | -1.1850 | |
| 68 | E | B | -2.0796 | |
| 69 | N | B | -1.6011 | |
| 70 | S | B | -1.4542 | |
| 71 | G | B | -1.3247 | |
| 72 | N | B | -1.6321 | |
| 73 | Y | B | 0.0000 | |
| 74 | Y | B | -0.3632 | |
| 75 | C | B | 0.0000 | |
| 76 | T | B | 0.0000 | |
| 77 | A | B | 0.0000 | |
| 78 | D | B | -1.1748 | |
| 79 | N | B | -1.2770 | |
| 80 | G | B | -0.8517 | |
| 81 | L | B | 0.3301 | |
| 82 | G | B | -0.3733 | |
| 83 | A | B | -0.7633 | |
| 84 | K | B | -1.0595 | |
| 85 | P | B | -0.9317 | |
| 86 | S | B | -0.7771 | |
| 87 | K | B | -1.4473 | |
| 88 | A | B | -0.8318 | |
| 89 | V | B | -0.4191 | |
| 90 | S | B | -0.6383 | |
| 91 | L | B | 0.0000 | |
| 92 | S | B | -0.3468 | |
| 93 | V | B | -0.3460 | |
| 94 | T | B | 0.3162 | |
| 95 | V | B | -0.2179 | |
| 96 | P | B | -0.2121 | |
| 97 | V | B | 0.0000 | |
| 98 | S | B | -1.8346 | |
| 99 | H | B | -2.2809 | |
| 100 | P | B | 0.0000 | |
| 101 | V | B | -0.3666 | |
| 102 | L | B | 0.0000 | |
| 103 | N | B | -0.6416 | |
| 104 | L | B | -0.1765 | |
| 105 | S | B | -0.8986 | |
| 106 | S | B | -1.2343 | |
| 107 | P | B | -1.5020 | |
| 108 | E | B | -2.2079 | |
| 109 | D | B | -2.0720 | |
| 110 | L | B | -0.5115 | |
| 111 | I | B | -0.3496 | |
| 112 | F | B | -0.1661 | |
| 113 | E | B | -0.9796 | |
| 114 | G | B | -0.9445 | |
| 115 | A | B | 0.0000 | |
| 116 | K | B | -1.8155 | |
| 117 | V | B | 0.0000 | |
| 118 | T | B | -0.5019 | |
| 119 | L | B | 0.0000 | |
| 120 | H | B | -0.4332 | |
| 121 | C | B | 0.0000 | |
| 122 | E | B | -1.1092 | |
| 123 | A | B | -1.7520 | |
| 124 | Q | B | -2.3109 | |
| 125 | R | B | -2.5726 | |
| 126 | G | B | -1.0568 | |
| 127 | S | B | -0.3175 | |
| 128 | L | B | 0.0154 | |
| 129 | P | B | -0.3335 | |
| 130 | I | B | 0.0000 | |
| 131 | L | B | -0.8209 | |
| 132 | Y | B | 0.0000 | |
| 133 | Q | B | -1.8682 | |
| 134 | F | B | 0.0000 | |
| 135 | H | B | -1.2895 | |
| 136 | H | B | -1.2871 | |
| 137 | E | B | -2.3886 | |
| 138 | G | B | -1.3925 | |
| 139 | A | B | -0.6453 | |
| 140 | A | B | -0.7810 | |
| 141 | L | B | -0.7898 | |
| 142 | E | B | -2.5647 | |
| 143 | R | B | -3.1621 | |
| 144 | R | B | -2.7340 | |
| 145 | S | B | -1.4468 | |
| 146 | A | B | 0.0000 | |
| 147 | N | B | -1.3547 | |
| 148 | S | B | -0.7679 | |
| 149 | A | B | -0.9233 | |
| 150 | G | B | -0.8845 | |
| 151 | G | B | -0.8912 | |
| 152 | V | B | 0.0000 | |
| 153 | A | B | -0.5767 | |
| 154 | I | B | -0.4678 | |
| 155 | S | B | -0.3423 | |
| 156 | F | B | -0.3356 | |
| 157 | S | B | -0.9090 | |
| 158 | L | B | 0.0000 | |
| 159 | T | B | -1.1292 | |
| 160 | A | B | -1.2706 | |
| 161 | E | B | -2.0748 | |
| 162 | H | B | -1.6192 | |
| 163 | S | B | -1.3068 | |
| 164 | G | B | -1.3706 | |
| 165 | N | B | -1.6350 | |
| 166 | Y | B | 0.0000 | |
| 167 | Y | B | -1.1066 | |
| 168 | C | B | 0.0000 | |
| 169 | T | B | -1.4672 | |
| 170 | A | B | 0.0000 | |
| 171 | D | B | -0.5755 | |
| 172 | N | B | 0.0531 | |
| 173 | G | B | 0.2429 | |
| 174 | F | B | 1.3421 | |
| 175 | G | B | 0.0099 | |
| 176 | P | B | -0.9060 | |
| 177 | Q | B | -1.5249 | |
| 178 | R | B | -2.4796 | |
| 179 | S | B | 0.0000 | |
| 180 | K | B | -2.0379 | |
| 181 | A | B | -1.2295 | |
| 182 | V | B | -0.2873 | |
| 183 | S | B | -0.7135 | |
| 184 | L | B | 0.0000 | |
| 185 | S | B | -0.4864 | |
| 186 | V | B | 0.0000 | |
| 187 | T | B | 0.0274 | |
| 188 | V | B | 0.0000 | |
| 189 | P | B | -0.5950 | |
| 190 | V | B | 0.0000 | |
| 191 | S | B | -1.4855 | |
| 192 | H | B | -2.1666 | |
| 193 | P | B | 0.0000 | |
| 194 | V | B | -0.6844 | |
| 195 | L | B | 0.0000 | |
| 196 | T | B | 0.0243 | |
| 197 | L | B | 0.2415 | |
| 198 | S | B | -0.2413 | |
| 199 | S | B | -0.3998 | |
| 200 | A | B | -0.6317 | |
| 201 | E | B | -1.1817 | |
| 202 | A | B | -0.2832 | |
| 203 | L | B | 0.6110 | |
| 204 | T | B | 0.4683 | |
| 205 | F | B | 0.1619 | |
| 206 | E | B | -0.7913 | |
| 207 | G | B | -0.8550 | |
| 208 | A | B | 0.0000 | |
| 209 | T | B | -0.5083 | |
| 210 | V | B | 0.0000 | |
| 211 | T | B | -0.0170 | |
| 212 | L | B | 0.0000 | |
| 213 | H | B | -0.7215 | |
| 214 | C | B | 0.0000 | |
| 215 | E | B | -2.2816 | |
| 216 | V | B | 0.0000 | |
| 217 | Q | B | -2.1362 | |
| 218 | R | B | -1.7662 | |
| 219 | G | B | -1.1315 | |
| 220 | S | B | -0.7508 | |
| 221 | P | B | -1.2253 | |
| 222 | Q | B | -1.5245 | |
| 223 | I | B | 0.0000 | |
| 224 | L | B | -0.2864 | |
| 225 | Y | B | 0.0000 | |
| 226 | Q | B | -0.3080 | |
| 227 | F | B | 0.0000 | |
| 228 | Y | B | -0.5467 | |
| 229 | H | B | 0.0000 | |
| 230 | E | B | -2.5092 | |
| 231 | D | B | -2.3228 | |
| 232 | M | B | -0.5432 | |
| 233 | P | B | -0.2736 | |
| 234 | L | B | 0.2844 | |
| 235 | W | B | 0.5979 | |
| 236 | S | B | 0.0920 | |
| 237 | S | B | -0.0201 | |
| 238 | S | B | -0.5535 | |
| 239 | T | B | -0.7409 | |
| 240 | P | B | -0.7948 | |
| 241 | S | B | -0.8012 | |
| 242 | V | B | -1.0185 | |
| 243 | G | B | -1.6924 | |
| 244 | R | B | -2.4774 | |
| 245 | V | B | 0.0000 | |
| 246 | S | B | -0.6342 | |
| 247 | F | B | 0.2794 | |
| 248 | S | B | 0.0077 | |
| 249 | F | B | -0.0171 | |
| 250 | S | B | -0.3802 | |
| 251 | L | B | 0.0000 | |
| 252 | T | B | -1.3706 | |
| 253 | E | B | -1.9858 | |
| 254 | G | B | -1.3201 | |
| 255 | H | B | -1.0589 | |
| 256 | S | B | -0.5280 | |
| 257 | G | B | -0.5932 | |
| 258 | N | B | -1.1287 | |
| 259 | Y | B | 0.0000 | |
| 260 | Y | B | 0.0000 | |
| 261 | C | B | 0.0000 | |
| 262 | T | B | 0.0000 | |
| 263 | A | B | 0.0000 | |
| 264 | D | B | -1.0874 | |
| 265 | N | B | -0.8423 | |
| 266 | G | B | -0.6107 | |
| 267 | F | B | 0.0883 | |
| 268 | G | B | -0.5445 | |
| 269 | P | B | -1.1368 | |
| 270 | Q | B | -1.6661 | |
| 271 | R | B | -2.4785 | |
| 272 | S | B | 0.0000 | |
| 273 | E | B | -1.6378 | |
| 274 | V | B | -0.2249 | |
| 275 | V | B | 0.2664 | |
| 276 | S | B | 0.3987 | |
| 277 | L | B | 0.0000 | |
| 278 | F | B | 1.5300 | |
| 279 | V | B | 0.0000 | |
| 280 | T | B | 0.2098 | |
| 281 | V | B | 0.0000 | |
| 282 | P | B | -0.5758 | |
| 283 | V | B | 0.0000 | |
| 284 | S | B | -1.5504 | |
| 285 | R | B | -2.4838 | |
| 286 | P | B | 0.0000 | |
| 287 | I | B | 0.4632 | |
| 288 | L | B | 0.0000 | |
| 289 | T | B | -0.0438 | |
| 290 | L | B | -0.7289 | |
| 291 | R | B | -2.0256 | |
| 292 | V | B | -0.9912 | |
| 293 | P | B | -1.2343 | |
| 294 | R | B | -2.0679 | |
| 295 | A | B | -1.1815 | |
| 296 | Q | B | -0.9339 | |
| 297 | A | B | 0.0000 | |
| 298 | V | B | 0.0000 | |
| 299 | V | B | 0.4512 | |
| 300 | G | B | 0.1024 | |
| 301 | D | B | 0.0000 | |
| 302 | L | B | 0.0513 | |
| 303 | L | B | 0.0000 | |
| 304 | E | B | -1.1743 | |
| 305 | L | B | 0.0000 | |
| 306 | H | B | -0.9696 | |
| 307 | C | B | 0.0000 | |
| 308 | E | B | -1.6345 | |
| 309 | A | B | 0.0000 | |
| 310 | P | B | -1.5269 | |
| 311 | R | B | -2.1756 | |
| 312 | G | B | -1.4911 | |
| 313 | S | B | -0.8724 | |
| 314 | P | B | -0.8186 | |
| 315 | P | B | -0.6703 | |
| 316 | I | B | 0.0000 | |
| 317 | L | B | 0.0346 | |
| 318 | Y | B | 0.0000 | |
| 319 | W | B | 0.1105 | |
| 320 | F | B | 0.0000 | |
| 321 | Y | B | -0.2330 | |
| 322 | H | B | -1.0186 | |
| 323 | E | B | -2.2543 | |
| 324 | D | B | -1.7863 | |
| 325 | V | B | 0.4442 | |
| 326 | T | B | 0.3070 | |
| 327 | L | B | 0.3045 | |
| 328 | G | B | 0.1643 | |
| 329 | S | B | -0.0300 | |
| 330 | S | B | -0.2787 | |
| 331 | S | B | -0.5639 | |
| 332 | A | B | 0.0000 | |
| 333 | P | B | -0.5858 | |
| 334 | S | B | -0.8023 | |
| 335 | G | B | -1.3098 | |
| 336 | G | B | -1.8534 | |
| 337 | E | B | -2.2215 | |
| 338 | A | B | 0.0000 | |
| 339 | S | B | -0.9566 | |
| 340 | F | B | -0.4278 | |
| 341 | N | B | -1.2340 | |
| 342 | L | B | -0.3308 | |
| 343 | S | B | -0.1479 | |
| 344 | L | B | 0.0000 | |
| 345 | T | B | -0.3621 | |
| 346 | A | B | -0.6929 | |
| 347 | E | B | -1.8788 | |
| 348 | H | B | -1.2370 | |
| 349 | S | B | -1.0100 | |
| 350 | G | B | -1.1170 | |
| 351 | N | B | -1.4733 | |
| 352 | Y | B | 0.0000 | |
| 353 | S | B | 0.0000 | |
| 354 | C | B | 0.0000 | |
| 355 | E | B | -0.9211 | |
| 356 | A | B | 0.0000 | |
| 357 | N | B | -0.5436 | |
| 358 | N | B | -0.3494 | |
| 359 | G | B | -0.2288 | |
| 360 | L | B | 0.5390 | |
| 361 | V | B | 0.4791 | |
| 362 | A | B | -0.4330 | |
| 363 | Q | B | -1.3691 | |
| 364 | H | B | -1.6674 | |
| 365 | S | B | 0.0000 | |
| 366 | D | B | -1.7936 | |
| 367 | T | B | -0.9085 | |
| 368 | I | B | -0.0840 | |
| 369 | S | B | -0.3344 | |
| 370 | L | B | -0.0800 | |
| 371 | S | B | -0.4218 | |
| 372 | V | B | 0.0000 | |
| 373 | I | B | 0.4882 | |
| 374 | V | B | 0.1902 | |
| 375 | P | B | -0.9320 | |
| 376 | V | B | 0.0000 | |
| 377 | S | B | -1.6156 | |
| 378 | R | B | -2.5721 | |
| 379 | P | B | 0.0000 | |
| 380 | I | B | 0.2673 | |
| 381 | L | B | 0.0000 | |
| 382 | T | B | -0.1854 | |
| 383 | F | B | -0.7212 | |
| 384 | R | B | -2.2026 | |
| 385 | A | B | -1.5999 | |
| 386 | P | B | -1.4727 | |
| 387 | R | B | -2.1841 | |
| 388 | A | B | -1.2370 | |
| 389 | Q | B | -1.1489 | |
| 390 | A | B | -0.7886 | |
| 391 | V | B | 0.0000 | |
| 392 | V | B | 0.0983 | |
| 393 | G | B | -0.1345 | |
| 394 | D | B | -0.2649 | |
| 395 | L | B | -0.1668 | |
| 396 | L | B | 0.0000 | |
| 397 | E | B | -1.2613 | |
| 398 | L | B | 0.0000 | |
| 399 | H | B | -0.7525 | |
| 400 | C | B | 0.0000 | |
| 401 | E | B | -0.8210 | |
| 402 | A | B | 0.0000 | |
| 403 | L | B | 0.1731 | |
| 404 | R | B | -1.6156 | |
| 405 | G | B | -0.9632 | |
| 406 | S | B | -0.6419 | |
| 407 | S | B | -0.8267 | |
| 408 | P | B | -0.7677 | |
| 409 | I | B | 0.0000 | |
| 410 | L | B | -0.3947 | |
| 411 | Y | B | 0.0000 | |
| 412 | W | B | -0.4179 | |
| 413 | F | B | 0.0000 | |
| 414 | Y | B | -0.0167 | |
| 415 | H | B | -0.3381 | |
| 416 | E | B | -1.6426 | |
| 417 | D | B | -1.5801 | |
| 418 | V | B | 0.5206 | |
| 419 | T | B | 0.1861 | |
| 420 | L | B | 0.2570 | |
| 421 | G | B | -0.2233 | |
| 422 | K | B | -1.2295 | |
| 423 | I | B | -0.2136 | |
| 424 | S | B | -0.4620 | |
| 425 | A | B | 0.0000 | |
| 426 | P | B | -0.5635 | |
| 427 | S | B | -0.6400 | |
| 428 | G | B | -0.8463 | |
| 429 | G | B | -0.8565 | |
| 430 | G | B | -0.3582 | |
| 431 | A | B | 0.0000 | |
| 432 | S | B | -0.8308 | |
| 433 | F | B | -0.4982 | |
| 434 | N | B | -1.2447 | |
| 435 | L | B | -0.3843 | |
| 436 | S | B | -0.2368 | |
| 437 | L | B | 0.0000 | |
| 438 | T | B | -0.5755 | |
| 439 | T | B | -0.9835 | |
| 440 | E | B | -1.9708 | |
| 441 | H | B | -1.2585 | |
| 442 | S | B | -1.0413 | |
| 443 | G | B | -0.5631 | |
| 444 | I | B | -0.1182 | |
| 445 | Y | B | 0.0000 | |
| 446 | S | B | 0.0000 | |
| 447 | C | B | 0.0000 | |
| 448 | E | B | -1.5947 | |
| 449 | A | B | 0.0000 | |
| 450 | D | B | -1.5045 | |
| 451 | N | B | -0.9456 | |
| 452 | G | B | -0.9467 | |
| 453 | L | B | -1.0323 | |
| 454 | E | B | -2.1520 | |
| 455 | A | B | -1.8943 | |
| 456 | Q | B | -2.4472 | |
| 457 | R | B | -2.2113 | |
| 458 | S | B | 0.0000 | |
| 459 | E | B | -1.5485 | |
| 460 | M | B | 0.2216 | |
| 461 | V | B | 0.6430 | |
| 462 | T | B | 0.1496 | |
| 463 | L | B | 0.0000 | |
| 464 | K | B | -0.7102 | |
| 465 | V | B | 0.0000 | |
| 466 | A | B | 0.0000 | |
| 467 | V | B | -0.1717 | |
| 468 | P | B | -0.6408 | |
| 469 | V | B | 0.0000 | |
| 470 | S | B | -1.4039 | |
| 471 | R | B | -2.4678 | |
| 472 | P | B | 0.0000 | |
| 473 | V | B | 0.7063 | |
| 474 | L | B | 0.0000 | |
| 475 | T | B | -0.1089 | |
| 476 | L | B | -0.9139 | |
| 477 | R | B | -2.1519 | |
| 478 | A | B | -1.2619 | |
| 479 | P | B | -0.8964 | |
| 480 | G | B | -1.0735 | |
| 481 | T | B | -1.0304 | |
| 482 | H | B | -1.1606 | |
| 483 | A | B | 0.0000 | |
| 484 | A | B | 0.3132 | |
| 485 | V | B | 0.5688 | |
| 486 | G | B | 0.0840 | |
| 487 | D | B | 0.1305 | |
| 488 | L | B | 0.5336 | |
| 489 | L | B | 0.0000 | |
| 490 | E | B | -1.4872 | |
| 491 | L | B | 0.0000 | |
| 492 | H | B | -0.7682 | |
| 493 | C | B | 0.0000 | |
| 494 | E | B | -0.3098 | |
| 495 | A | B | 0.0000 | |
| 496 | L | B | 0.3307 | |
| 497 | R | B | -1.5663 | |
| 498 | G | B | -0.8699 | |
| 499 | S | B | 0.0000 | |
| 500 | P | B | -0.6692 | |
| 501 | L | B | 0.0000 | |
| 502 | I | B | 0.0000 | |
| 503 | L | B | 0.0000 | |
| 504 | Y | B | 0.0000 | |
| 505 | R | B | -0.5773 | |
| 506 | F | B | 0.0000 | |
| 507 | F | B | -0.1803 | |
| 508 | H | B | -0.6275 | |
| 509 | E | B | -1.8282 | |
| 510 | D | B | -1.5821 | |
| 511 | V | B | 0.5981 | |
| 512 | T | B | 0.2958 | |
| 513 | L | B | 0.2762 | |
| 514 | G | B | -0.0501 | |
| 515 | N | B | 0.0000 | |
| 516 | R | B | -0.8914 | |
| 517 | S | B | 0.0000 | |
| 518 | S | B | -0.9746 | |
| 519 | P | B | -0.9875 | |
| 520 | S | B | -0.9262 | |
| 521 | G | B | -0.6535 | |
| 522 | G | B | 0.0000 | |
| 523 | A | B | 0.0000 | |
| 524 | S | B | -0.7707 | |
| 525 | L | B | 0.0000 | |
| 526 | N | B | -1.1761 | |
| 527 | L | B | -0.2453 | |
| 528 | S | B | 0.0267 | |
| 529 | L | B | 0.0000 | |
| 530 | T | B | -0.4381 | |
| 531 | A | B | -0.4742 | |
| 532 | E | B | -1.8355 | |
| 533 | H | B | -0.9377 | |
| 534 | S | B | -0.4451 | |
| 535 | G | B | -0.5810 | |
| 536 | N | B | -1.1238 | |
| 537 | Y | B | 0.0000 | |
| 538 | S | B | 0.0000 | |
| 539 | C | B | 0.0000 | |
| 540 | E | B | -1.4581 | |
| 541 | A | B | 0.0000 | |
| 542 | D | B | -1.0919 | |
| 543 | N | B | 0.0000 | |
| 544 | G | B | -0.8861 | |
| 545 | L | B | -0.4945 | |
| 546 | G | B | -0.4262 | |
| 547 | A | B | -1.1016 | |
| 548 | Q | B | -2.1332 | |
| 549 | R | B | -2.4587 | |
| 550 | S | B | 0.0000 | |
| 551 | E | B | -2.0788 | |
| 552 | T | B | -0.9619 | |
| 553 | V | B | 0.1189 | |
| 554 | T | B | 0.0149 | |
| 555 | L | B | 0.6200 | |
| 556 | Y | B | 1.1057 | |
| 557 | I | B | 0.5282 | |
| 558 | T | B | 0.4504 | |
| 559 | G | B | 0.4544 | |
| 560 | L | B | 1.2700 | |
| 561 | T | B | -0.1346 | |
| 562 | A | B | -0.7578 | |
| 563 | N | B | -2.0295 | |
| 564 | R | B | -2.6696 | |
| 565 | S | B | -1.3919 | |
| 566 | G | B | -0.6882 | |
| 567 | P | B | 0.2661 | |
| 568 | F | B | 1.6406 | |
| 569 | A | B | 0.9625 | |
| 570 | T | B | 0.7604 | |
| 571 | G | B | 0.6017 | |
| 572 | V | B | 1.3591 | |
| 573 | A | B | 0.6100 | |
| 574 | G | B | 0.3672 | |
| 575 | G | B | 0.7046 | |
| 576 | L | B | 2.2186 | |
| 577 | L | B | 2.5211 | |
| 578 | S | B | 1.7837 | |
| 579 | I | B | 2.6647 | |
| 580 | A | B | 1.3995 | |
| 581 | G | B | 0.7831 | |
| 582 | L | B | 1.6466 | |
| 583 | A | B | 0.6574 | |
| 584 | A | B | 0.4055 | |
| 585 | G | B | 0.4783 | |
| 586 | A | B | 1.2839 | |
| 587 | L | B | 2.8993 | |
| 588 | L | B | 3.4671 | |
| 589 | L | B | 3.7729 | |
| 590 | Y | B | 3.7168 | |
| 591 | C | B | 3.0041 | |
| 592 | W | B | 2.4848 | |
| 593 | L | B | 1.7792 | |
| 594 | S | B | -0.3365 | |
| 595 | R | B | -2.2602 | |
| 596 | K | B | -2.6967 | |
| 597 | A | B | -2.2022 | |
| 598 | G | B | -2.3958 | |
| 599 | R | B | -3.1257 | |
| 600 | K | B | -2.8531 | |
| 601 | P | B | -1.7901 | |
| 602 | A | B | -1.4023 | |
| 603 | S | B | -1.4194 | |
| 604 | D | B | -2.2286 | |
| 605 | P | B | -1.7112 | |
| 606 | A | B | -1.4356 | |
| 607 | R | B | -2.2467 | |
| 608 | S | B | -1.4366 | |
| 609 | P | B | -1.2762 | |
| 610 | S | B | -1.3285 | |
| 611 | D | B | -2.4487 | |
| 612 | S | B | -2.1252 | |
| 613 | D | B | -2.8674 | |
| 614 | S | B | -2.2667 | |
| 615 | Q | B | -2.7021 | |
| 616 | E | B | -2.7865 | |
| 617 | P | B | -1.2127 | |
| 618 | T | B | -0.3165 | |
| 619 | Y | B | 0.4269 | |
| 620 | H | B | -0.4901 | |
| 621 | N | B | -0.6335 | |
| 622 | V | B | 0.9321 | |
| 623 | P | B | 0.4035 | |
| 624 | A | B | 0.1348 | |
| 625 | W | B | 0.2015 | |
| 626 | E | B | -1.8632 | |
| 627 | E | B | -2.0144 | |
| 628 | L | B | -0.0967 | |
| 629 | Q | B | -0.6371 | |
| 630 | P | B | 0.5198 | |
| 631 | V | B | 1.9897 | |
| 632 | Y | B | 1.5971 | |
| 633 | T | B | 0.2806 | |
| 634 | N | B | -1.1295 | |
| 635 | A | B | -1.3087 | |
| 636 | N | B | -2.2515 | |
| 637 | P | B | -2.2318 | |
| 638 | R | B | -3.1566 | |
| 639 | G | B | -2.5370 | |
| 640 | E | B | -2.4849 | |
| 641 | N | B | -0.9545 | |
| 642 | V | B | 1.7877 | |
| 643 | V | B | 2.3823 | |
| 644 | Y | B | 2.2280 | |
| 645 | S | B | 0.5190 | |
| 646 | E | B | -0.8327 | |
| 647 | V | B | 0.9315 | |
| 648 | R | B | -0.1095 | |
| 649 | I | B | 1.7847 | |
| 650 | I | B | 1.3250 | |
| 651 | Q | B | -1.4376 | |
| 652 | E | B | -3.1199 | |
| 653 | K | B | -4.0334 | |
| 654 | K | B | -4.2969 | |
| 655 | K | B | -3.4563 | |
| 656 | H | B | -2.1195 | |
| 657 | A | B | -0.2325 | |
| 658 | V | B | 1.1610 | |
| 659 | A | B | 0.3030 | |
| 660 | S | B | -0.8708 | |
| 661 | D | B | -2.3975 | |
| 662 | P | B | -2.0368 | |
| 663 | R | B | -2.7506 | |
| 664 | H | B | -2.1037 | |
| 665 | L | B | -0.9206 | |
| 666 | R | B | -2.7880 | |
| 667 | N | B | -2.8690 | |
| 668 | K | B | -2.9696 | |
| 669 | G | B | -1.7705 | |
| 670 | S | B | -0.4111 | |
| 671 | P | B | 1.0417 | |
| 672 | I | B | 3.0880 | |
| 673 | I | B | 3.2381 | |
| 674 | Y | B | 2.4865 | |
| 675 | S | B | 0.6679 | |
| 676 | E | B | -0.7034 | |
| 677 | V | B | 0.6789 | |
| 678 | K | B | -0.5477 | |
| 679 | V | B | 1.1450 | |
| 680 | A | B | 0.5168 | |
| 681 | S | B | 0.1884 | |
| 682 | T | B | 0.3338 | |
| 683 | P | B | 0.4061 | |
| 684 | V | B | 1.3552 | |
| 685 | S | B | 0.4686 | |
| 686 | G | B | 0.4059 | |
| 687 | S | B | 1.1902 | |
| 688 | L | B | 2.6772 | |
| 689 | F | B | 3.3068 | |
| 690 | L | B | 2.8349 | |
| 691 | A | B | 1.4292 | |
| 692 | S | B | 0.3880 | |
| 693 | S | B | -0.2724 | |
| 694 | A | B | -0.6733 | |
| 695 | P | B | -1.2678 | |
| 696 | H | B | -2.0123 | |
| 697 | R | B | -2.3789 |
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 | -0.4027 | 5.7893 | View | CSV | PDB |
| 4.5 | -0.4656 | 5.7893 | View | CSV | PDB |
| 5.0 | -0.5435 | 5.7893 | View | CSV | PDB |
| 5.5 | -0.6221 | 5.7893 | View | CSV | PDB |
| 6.0 | -0.6872 | 5.7893 | View | CSV | PDB |
| 6.5 | -0.7289 | 5.7893 | View | CSV | PDB |
| 7.0 | -0.7475 | 5.7893 | View | CSV | PDB |
| 7.5 | -0.7516 | 5.7893 | View | CSV | PDB |
| 8.0 | -0.7489 | 5.7893 | View | CSV | PDB |
| 8.5 | -0.7416 | 5.7893 | View | CSV | PDB |
| 9.0 | -0.7289 | 5.7893 | 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