| Chain sequence(s) |
A: AVPGLRAAETLDESGGGLVSPGGSLTLVCKGSGFTFSSNEMYWVRQAPGKGLEWVAGITTGGYTGYAPAVKGRFTISRNNGQSTLTLQMNSLKAEDTATYYCAKITGYANCAGYGCAADIDLWGHGTEVTVSSGSPTAPSVFPISSCCGSTQQQPVVGCLATGYIPGPATFSWSGASGATSVTVPETHGVGPHKRASFLRPPHAGSGDFFTCSVNHQATRTSLTQNVEGCVAGGEPTPPEVQVLHSSVCSTLGDDSVELLCVITGFSPPPVEVEWLVDGAPAHLVATMTRPQREAGSKTYMATSQTNVSREDWKAGKAFTCRVKHPATGGTAQGHARFCPEF
B: AVPGLRAAETLDESGGGLVSPGGSLTLVCKGSGFTFSSNEMYWVRQAPGKGLEWVAGITTGGYTGYAPAVKGRFTISRNNGQSTLTLQMNSLKAEDTATYYCAKITGYANCAGYGCAADIDLWGHGTEVTVSSGSPTAPSVFPISSCCGSTQQQPVVGCLATGYIPGPATFSWSGASGATSVTVPETHGVGPHKRASFLRPPHAGSGDFFTCSVNHQATRTSLTQNVEGCVAGGEPTPPEVQVLHSSVCSTLGDDSVELLCVITGFSPPPVEVEWLVDGAPAHLVATMTRPQREAGSKTYMATSQTNVSREDWKAGKAFTCRVKHPATGGTAQGHARFCPEF 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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:05:51)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/476fdc5a9e81819/tmp/folded.pdb (00:05:51)
[INFO] Main: Simulation completed successfully. (00:08:16)
|
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 | 0.7675 | |
| 2 | V | A | 1.7741 | |
| 3 | P | A | 0.4855 | |
| 4 | G | A | 0.1560 | |
| 5 | L | A | 0.6543 | |
| 6 | R | A | -1.3729 | |
| 7 | A | A | -0.7475 | |
| 8 | A | A | -0.6909 | |
| 9 | E | A | -1.3178 | |
| 10 | T | A | -1.1193 | |
| 11 | L | A | 0.0000 | |
| 12 | D | A | -1.8299 | |
| 13 | E | A | 0.0000 | |
| 14 | S | A | -0.9449 | |
| 15 | G | A | -0.5196 | |
| 16 | G | A | -0.7381 | |
| 17 | G | A | -0.6279 | |
| 18 | L | A | -0.0421 | |
| 19 | V | A | -0.1988 | |
| 20 | S | A | -0.5932 | |
| 21 | P | A | -1.1665 | |
| 22 | G | A | -1.1088 | |
| 23 | G | A | -0.7761 | |
| 24 | S | A | -0.7040 | |
| 25 | L | A | -0.2021 | |
| 26 | T | A | -0.2427 | |
| 27 | L | A | 0.0000 | |
| 28 | V | A | -0.3070 | |
| 29 | C | A | 0.0000 | |
| 30 | K | A | -1.8532 | |
| 31 | G | A | -1.3562 | |
| 32 | S | A | -1.0925 | |
| 33 | G | A | -0.9017 | |
| 34 | F | A | -0.4844 | |
| 35 | T | A | -0.2989 | |
| 36 | F | A | 0.0000 | |
| 37 | S | A | -0.8285 | |
| 38 | S | A | -0.2952 | |
| 39 | N | A | 0.0000 | |
| 40 | E | A | 0.0000 | |
| 41 | M | A | 0.0000 | |
| 42 | Y | A | 0.0000 | |
| 43 | W | A | 0.0000 | |
| 44 | V | A | 0.0000 | |
| 45 | R | A | 0.0000 | |
| 46 | Q | A | -1.2149 | |
| 47 | A | A | -1.6520 | |
| 48 | P | A | -1.4695 | |
| 49 | G | A | -1.6801 | |
| 50 | K | A | -2.4080 | |
| 51 | G | A | -1.7295 | |
| 52 | L | A | 0.0000 | |
| 53 | E | A | -1.0979 | |
| 54 | W | A | 0.0000 | |
| 55 | V | A | 0.0000 | |
| 56 | A | A | 0.0000 | |
| 57 | G | A | 0.0000 | |
| 58 | I | A | 0.0000 | |
| 59 | T | A | 0.0000 | |
| 60 | T | A | -0.3146 | |
| 61 | G | A | -0.3665 | |
| 62 | G | A | -0.3622 | |
| 63 | Y | A | 0.5646 | |
| 64 | T | A | 0.1899 | |
| 65 | G | A | -0.1597 | |
| 66 | Y | A | -0.6713 | |
| 67 | A | A | 0.0000 | |
| 68 | P | A | -0.9288 | |
| 69 | A | A | -0.8816 | |
| 70 | V | A | 0.0000 | |
| 71 | K | A | -2.0345 | |
| 72 | G | A | -1.5131 | |
| 73 | R | A | -1.2949 | |
| 74 | F | A | 0.0000 | |
| 75 | T | A | -0.6780 | |
| 76 | I | A | 0.0000 | |
| 77 | S | A | -0.4451 | |
| 78 | R | A | -1.1367 | |
| 79 | N | A | -1.8830 | |
| 80 | N | A | -1.7345 | |
| 81 | G | A | -1.6160 | |
| 82 | Q | A | -2.1271 | |
| 83 | S | A | -1.6278 | |
| 84 | T | A | -1.5245 | |
| 85 | L | A | 0.0000 | |
| 86 | T | A | -0.3848 | |
| 87 | L | A | 0.0000 | |
| 88 | Q | A | -0.4815 | |
| 89 | M | A | 0.0000 | |
| 90 | N | A | -1.1368 | |
| 91 | S | A | -1.0755 | |
| 92 | L | A | 0.0000 | |
| 93 | K | A | -1.9187 | |
| 94 | A | A | -1.3603 | |
| 95 | E | A | -2.1171 | |
| 96 | D | A | 0.0000 | |
| 97 | T | A | -0.9348 | |
| 98 | A | A | 0.0000 | |
| 99 | T | A | -0.8407 | |
| 100 | Y | A | 0.0000 | |
| 101 | Y | A | 0.0000 | |
| 102 | C | A | 0.0000 | |
| 103 | A | A | 0.0000 | |
| 104 | K | A | 0.0000 | |
| 105 | I | A | 0.0000 | |
| 106 | T | A | -0.3832 | |
| 107 | G | A | -0.3205 | |
| 108 | Y | A | -0.1587 | |
| 109 | A | A | -0.4663 | |
| 110 | N | A | -1.1347 | |
| 111 | C | A | -0.2201 | |
| 112 | A | A | -0.2340 | |
| 113 | G | A | -0.3433 | |
| 114 | Y | A | 0.4301 | |
| 115 | G | A | -0.0062 | |
| 116 | C | A | 0.0487 | |
| 117 | A | A | 0.0000 | |
| 118 | A | A | 0.0000 | |
| 119 | D | A | -0.3502 | |
| 120 | I | A | 0.0000 | |
| 121 | D | A | -0.9476 | |
| 122 | L | A | -0.5352 | |
| 123 | W | A | 0.0000 | |
| 124 | G | A | 0.0000 | |
| 125 | H | A | -1.6397 | |
| 126 | G | A | 0.0000 | |
| 127 | T | A | 0.0000 | |
| 128 | E | A | -1.5261 | |
| 129 | V | A | 0.0000 | |
| 130 | T | A | 0.0000 | |
| 131 | V | A | 0.0000 | |
| 132 | S | A | 0.0000 | |
| 133 | S | A | -0.3580 | |
| 134 | G | A | -0.3265 | |
| 135 | S | A | -0.4050 | |
| 136 | P | A | -0.3499 | |
| 137 | T | A | -0.2908 | |
| 138 | A | A | -0.6967 | |
| 139 | P | A | 0.0000 | |
| 140 | S | A | 0.1059 | |
| 141 | V | A | 0.5724 | |
| 142 | F | A | 0.8021 | |
| 143 | P | A | 0.2380 | |
| 144 | I | A | 0.3552 | |
| 145 | S | A | 0.4010 | |
| 146 | S | A | -0.1349 | |
| 147 | C | A | 0.0784 | |
| 148 | C | A | -0.3222 | |
| 149 | G | A | -1.0639 | |
| 150 | S | A | -1.0845 | |
| 151 | T | A | -1.2181 | |
| 152 | Q | A | -2.0326 | |
| 153 | Q | A | -1.5117 | |
| 154 | Q | A | -1.8252 | |
| 155 | P | A | -1.1578 | |
| 156 | V | A | -0.3961 | |
| 157 | V | A | 0.0000 | |
| 158 | G | A | 0.0000 | |
| 159 | C | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | A | A | 0.0000 | |
| 162 | T | A | -0.2412 | |
| 163 | G | A | -0.4405 | |
| 164 | Y | A | 0.0000 | |
| 165 | I | A | -0.1066 | |
| 166 | P | A | 0.0000 | |
| 167 | G | A | -0.7281 | |
| 168 | P | A | -0.8845 | |
| 169 | A | A | 0.0000 | |
| 170 | T | A | -0.7800 | |
| 171 | F | A | -0.3068 | |
| 172 | S | A | -0.3525 | |
| 173 | W | A | -0.3364 | |
| 174 | S | A | -0.3588 | |
| 175 | G | A | -0.3889 | |
| 176 | A | A | -0.4613 | |
| 177 | S | A | -0.6128 | |
| 178 | G | A | -0.7141 | |
| 179 | A | A | -0.6619 | |
| 180 | T | A | -0.3341 | |
| 181 | S | A | -0.2315 | |
| 182 | V | A | 0.0000 | |
| 183 | T | A | -0.2224 | |
| 184 | V | A | 0.0000 | |
| 185 | P | A | -0.5484 | |
| 186 | E | A | -0.9593 | |
| 187 | T | A | -0.9785 | |
| 188 | H | A | -1.3153 | |
| 189 | G | A | -0.8498 | |
| 190 | V | A | -0.0263 | |
| 191 | G | A | -0.3971 | |
| 192 | P | A | -0.5510 | |
| 193 | H | A | 0.0000 | |
| 194 | K | A | -0.8358 | |
| 195 | R | A | -0.6031 | |
| 196 | A | A | 0.0000 | |
| 197 | S | A | 0.0000 | |
| 198 | F | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | R | A | -0.7425 | |
| 201 | P | A | 0.0000 | |
| 202 | P | A | -1.1304 | |
| 203 | H | A | -1.4671 | |
| 204 | A | A | -0.7536 | |
| 205 | G | A | -0.6457 | |
| 206 | S | A | -0.6010 | |
| 207 | G | A | -0.4286 | |
| 208 | D | A | -0.1561 | |
| 209 | F | A | 0.9239 | |
| 210 | F | A | 0.0000 | |
| 211 | T | A | -0.4391 | |
| 212 | C | A | 0.0000 | |
| 213 | S | A | -0.6015 | |
| 214 | V | A | 0.0000 | |
| 215 | N | A | -1.9769 | |
| 216 | H | A | 0.0000 | |
| 217 | Q | A | -2.3336 | |
| 218 | A | A | -1.3034 | |
| 219 | T | A | -1.4921 | |
| 220 | R | A | -2.5963 | |
| 221 | T | A | -1.5842 | |
| 222 | S | A | -1.1953 | |
| 223 | L | A | -0.1766 | |
| 224 | T | A | -0.5552 | |
| 225 | Q | A | -0.5132 | |
| 226 | N | A | -1.0212 | |
| 227 | V | A | 0.0000 | |
| 228 | E | A | -0.2214 | |
| 229 | G | A | 0.0000 | |
| 230 | C | A | 0.0000 | |
| 231 | V | A | -0.4280 | |
| 232 | A | A | -0.7598 | |
| 233 | G | A | -1.5017 | |
| 234 | G | A | -1.7906 | |
| 235 | E | A | -2.3516 | |
| 236 | P | A | -1.5213 | |
| 237 | T | A | -1.2192 | |
| 238 | P | A | -1.1733 | |
| 239 | P | A | 0.0000 | |
| 240 | E | A | -2.1195 | |
| 241 | V | A | 0.0000 | |
| 242 | Q | A | -1.2838 | |
| 243 | V | A | 0.0000 | |
| 244 | L | A | 0.0000 | |
| 245 | H | A | 0.0000 | |
| 246 | S | A | -0.4620 | |
| 247 | S | A | -0.2767 | |
| 248 | V | A | -0.4122 | |
| 249 | C | A | -0.0730 | |
| 250 | S | A | 0.0547 | |
| 251 | T | A | -0.0821 | |
| 252 | L | A | 0.5080 | |
| 253 | G | A | -1.1786 | |
| 254 | D | A | -2.5315 | |
| 255 | D | A | -3.1299 | |
| 256 | S | A | -2.4336 | |
| 257 | V | A | 0.0000 | |
| 258 | E | A | -0.9032 | |
| 259 | L | A | 0.0000 | |
| 260 | L | A | 0.0000 | |
| 261 | C | A | 0.0000 | |
| 262 | V | A | -0.3037 | |
| 263 | I | A | 0.0000 | |
| 264 | T | A | -0.7843 | |
| 265 | G | A | -0.9238 | |
| 266 | F | A | 0.0000 | |
| 267 | S | A | 0.0000 | |
| 268 | P | A | -1.0075 | |
| 269 | P | A | -0.6320 | |
| 270 | P | A | -0.9182 | |
| 271 | V | A | -1.2337 | |
| 272 | E | A | -2.3043 | |
| 273 | V | A | -1.6221 | |
| 274 | E | A | -2.1992 | |
| 275 | W | A | 0.0000 | |
| 276 | L | A | 0.0000 | |
| 277 | V | A | -1.2185 | |
| 278 | D | A | -2.1726 | |
| 279 | G | A | -1.4478 | |
| 280 | A | A | -0.8592 | |
| 281 | P | A | -1.0446 | |
| 282 | A | A | -0.6606 | |
| 283 | H | A | -0.5400 | |
| 284 | L | A | 0.3121 | |
| 285 | V | A | 1.4388 | |
| 286 | A | A | 0.3993 | |
| 287 | T | A | 0.0534 | |
| 288 | M | A | -0.1352 | |
| 289 | T | A | -0.8846 | |
| 290 | R | A | -1.9840 | |
| 291 | P | A | -1.0998 | |
| 292 | Q | A | -1.1301 | |
| 293 | R | A | -1.3467 | |
| 294 | E | A | -1.2819 | |
| 295 | A | A | -1.2784 | |
| 296 | G | A | -1.4114 | |
| 297 | S | A | -1.3282 | |
| 298 | K | A | -2.1076 | |
| 299 | T | A | -1.3663 | |
| 300 | Y | A | 0.0000 | |
| 301 | M | A | -0.5878 | |
| 302 | A | A | 0.0000 | |
| 303 | T | A | 0.0000 | |
| 304 | S | A | 0.0000 | |
| 305 | Q | A | -0.4892 | |
| 306 | T | A | 0.0000 | |
| 307 | N | A | -1.3667 | |
| 308 | V | A | 0.0000 | |
| 309 | S | A | -2.2014 | |
| 310 | R | A | -2.6330 | |
| 311 | E | A | -2.9824 | |
| 312 | D | A | -2.1828 | |
| 313 | W | A | 0.0000 | |
| 314 | K | A | -2.3383 | |
| 315 | A | A | -1.5283 | |
| 316 | G | A | -1.4412 | |
| 317 | K | A | -1.9036 | |
| 318 | A | A | -1.4922 | |
| 319 | F | A | 0.0000 | |
| 320 | T | A | 0.0000 | |
| 321 | C | A | 0.0000 | |
| 322 | R | A | -2.4985 | |
| 323 | V | A | 0.0000 | |
| 324 | K | A | -2.2918 | |
| 325 | H | A | 0.0000 | |
| 326 | P | A | -0.9717 | |
| 327 | A | A | -0.6309 | |
| 328 | T | A | -0.7934 | |
| 329 | G | A | -0.8533 | |
| 330 | G | A | -0.7119 | |
| 331 | T | A | -1.4804 | |
| 332 | A | A | -1.5434 | |
| 333 | Q | A | -2.2545 | |
| 334 | G | A | 0.0000 | |
| 335 | H | A | -1.5405 | |
| 336 | A | A | 0.0000 | |
| 337 | R | A | -1.3250 | |
| 338 | F | A | -0.7027 | |
| 339 | C | A | -0.6562 | |
| 340 | P | A | -1.4407 | |
| 341 | E | A | -1.8137 | |
| 342 | F | A | -1.0321 | |
| 1 | A | B | 0.7641 | |
| 2 | V | B | 1.7758 | |
| 3 | P | B | 0.4873 | |
| 4 | G | B | 0.1559 | |
| 5 | L | B | 0.6582 | |
| 6 | R | B | -1.3694 | |
| 7 | A | B | -0.7394 | |
| 8 | A | B | -0.6782 | |
| 9 | E | B | -1.2952 | |
| 10 | T | B | -1.0565 | |
| 11 | L | B | 0.0000 | |
| 12 | D | B | -1.6707 | |
| 13 | E | B | 0.0000 | |
| 14 | S | B | -0.8770 | |
| 15 | G | B | -0.5061 | |
| 16 | G | B | -0.7226 | |
| 17 | G | B | -0.6184 | |
| 18 | L | B | -0.0671 | |
| 19 | V | B | -0.2070 | |
| 20 | S | B | -0.6046 | |
| 21 | P | B | -1.2083 | |
| 22 | G | B | -1.1419 | |
| 23 | G | B | -0.7911 | |
| 24 | S | B | -0.7115 | |
| 25 | L | B | -0.1959 | |
| 26 | T | B | -0.2374 | |
| 27 | L | B | 0.0000 | |
| 28 | V | B | -0.2278 | |
| 29 | C | B | 0.0000 | |
| 30 | K | B | -1.6388 | |
| 31 | G | B | -1.2426 | |
| 32 | S | B | -1.0250 | |
| 33 | G | B | -0.8866 | |
| 34 | F | B | -0.4715 | |
| 35 | T | B | -0.3109 | |
| 36 | F | B | 0.0000 | |
| 37 | S | B | -0.9034 | |
| 38 | S | B | -0.3098 | |
| 39 | N | B | 0.0000 | |
| 40 | E | B | 0.0000 | |
| 41 | M | B | 0.0000 | |
| 42 | Y | B | 0.0000 | |
| 43 | W | B | 0.0000 | |
| 44 | V | B | 0.0000 | |
| 45 | R | B | 0.0000 | |
| 46 | Q | B | -1.1967 | |
| 47 | A | B | -1.6429 | |
| 48 | P | B | -1.4826 | |
| 49 | G | B | -1.7142 | |
| 50 | K | B | -2.3931 | |
| 51 | G | B | -1.6875 | |
| 52 | L | B | 0.0000 | |
| 53 | E | B | -1.1153 | |
| 54 | W | B | 0.0000 | |
| 55 | V | B | 0.0000 | |
| 56 | A | B | 0.0000 | |
| 57 | G | B | 0.0000 | |
| 58 | I | B | 0.0000 | |
| 59 | T | B | 0.0000 | |
| 60 | T | B | -0.2985 | |
| 61 | G | B | -0.3135 | |
| 62 | G | B | -0.3011 | |
| 63 | Y | B | 0.8063 | |
| 64 | T | B | 0.3035 | |
| 65 | G | B | -0.1183 | |
| 66 | Y | B | -0.6756 | |
| 67 | A | B | 0.0000 | |
| 68 | P | B | -0.9356 | |
| 69 | A | B | -0.9023 | |
| 70 | V | B | 0.0000 | |
| 71 | K | B | -2.0429 | |
| 72 | G | B | -1.5173 | |
| 73 | R | B | -1.3017 | |
| 74 | F | B | 0.0000 | |
| 75 | T | B | -0.6805 | |
| 76 | I | B | 0.0000 | |
| 77 | S | B | -0.4496 | |
| 78 | R | B | -1.2503 | |
| 79 | N | B | -2.1602 | |
| 80 | N | B | -1.9624 | |
| 81 | G | B | -1.7473 | |
| 82 | Q | B | -2.2055 | |
| 83 | S | B | -1.6778 | |
| 84 | T | B | -1.5328 | |
| 85 | L | B | 0.0000 | |
| 86 | T | B | -0.3770 | |
| 87 | L | B | 0.0000 | |
| 88 | Q | B | -0.4784 | |
| 89 | M | B | 0.0000 | |
| 90 | N | B | -1.1414 | |
| 91 | S | B | -1.1106 | |
| 92 | L | B | 0.0000 | |
| 93 | K | B | -2.0788 | |
| 94 | A | B | -1.4306 | |
| 95 | E | B | -2.1717 | |
| 96 | D | B | 0.0000 | |
| 97 | T | B | -1.0600 | |
| 98 | A | B | 0.0000 | |
| 99 | T | B | -0.8273 | |
| 100 | Y | B | 0.0000 | |
| 101 | Y | B | 0.0000 | |
| 102 | C | B | 0.0000 | |
| 103 | A | B | 0.0000 | |
| 104 | K | B | 0.0000 | |
| 105 | I | B | 0.0000 | |
| 106 | T | B | -0.4108 | |
| 107 | G | B | -0.3491 | |
| 108 | Y | B | -0.1481 | |
| 109 | A | B | -0.4621 | |
| 110 | N | B | -1.1557 | |
| 111 | C | B | -0.2430 | |
| 112 | A | B | -0.1901 | |
| 113 | G | B | -0.2004 | |
| 114 | Y | B | 0.6305 | |
| 115 | G | B | 0.1320 | |
| 116 | C | B | 0.0000 | |
| 117 | A | B | 0.0000 | |
| 118 | A | B | 0.0000 | |
| 119 | D | B | -0.4044 | |
| 120 | I | B | 0.0000 | |
| 121 | D | B | -0.9880 | |
| 122 | L | B | -0.5425 | |
| 123 | W | B | 0.0000 | |
| 124 | G | B | 0.0000 | |
| 125 | H | B | -1.6107 | |
| 126 | G | B | 0.0000 | |
| 127 | T | B | 0.0000 | |
| 128 | E | B | -1.4937 | |
| 129 | V | B | 0.0000 | |
| 130 | T | B | 0.0000 | |
| 131 | V | B | 0.0000 | |
| 132 | S | B | 0.0000 | |
| 133 | S | B | -0.3708 | |
| 134 | G | B | -0.3598 | |
| 135 | S | B | -0.4370 | |
| 136 | P | B | -0.4082 | |
| 137 | T | B | -0.3252 | |
| 138 | A | B | -0.6788 | |
| 139 | P | B | 0.0000 | |
| 140 | S | B | 0.1438 | |
| 141 | V | B | 0.5546 | |
| 142 | F | B | 0.7188 | |
| 143 | P | B | 0.1645 | |
| 144 | I | B | 0.2320 | |
| 145 | S | B | 0.3829 | |
| 146 | S | B | -0.0226 | |
| 147 | C | B | 0.1212 | |
| 148 | C | B | -0.0926 | |
| 149 | G | B | -1.1394 | |
| 150 | S | B | -1.0264 | |
| 151 | T | B | -1.1318 | |
| 152 | Q | B | -1.8082 | |
| 153 | Q | B | -1.0135 | |
| 154 | Q | B | -1.3068 | |
| 155 | P | B | -0.9678 | |
| 156 | V | B | 0.0000 | |
| 157 | V | B | 0.0000 | |
| 158 | G | B | 0.0000 | |
| 159 | C | B | 0.0000 | |
| 160 | L | B | 0.0000 | |
| 161 | A | B | 0.0000 | |
| 162 | T | B | -0.2994 | |
| 163 | G | B | -0.4701 | |
| 164 | Y | B | 0.0000 | |
| 165 | I | B | 0.0000 | |
| 166 | P | B | 0.0000 | |
| 167 | G | B | -0.7684 | |
| 168 | P | B | -0.8785 | |
| 169 | A | B | 0.0000 | |
| 170 | T | B | -0.6860 | |
| 171 | F | B | -0.2308 | |
| 172 | S | B | -0.3081 | |
| 173 | W | B | -0.3367 | |
| 174 | S | B | -0.3539 | |
| 175 | G | B | -0.3888 | |
| 176 | A | B | -0.4710 | |
| 177 | S | B | -0.6116 | |
| 178 | G | B | -0.7222 | |
| 179 | A | B | -0.6825 | |
| 180 | T | B | -0.3947 | |
| 181 | S | B | -0.2970 | |
| 182 | V | B | 0.0000 | |
| 183 | T | B | -0.2735 | |
| 184 | V | B | 0.0000 | |
| 185 | P | B | -0.6906 | |
| 186 | E | B | -1.1045 | |
| 187 | T | B | -1.0500 | |
| 188 | H | B | -1.3489 | |
| 189 | G | B | -0.8616 | |
| 190 | V | B | -0.0852 | |
| 191 | G | B | -0.4478 | |
| 192 | P | B | -0.5894 | |
| 193 | H | B | 0.0000 | |
| 194 | K | B | -1.0169 | |
| 195 | R | B | -0.7228 | |
| 196 | A | B | 0.0000 | |
| 197 | S | B | 0.0000 | |
| 198 | F | B | 0.0000 | |
| 199 | L | B | 0.0000 | |
| 200 | R | B | -0.7863 | |
| 201 | P | B | 0.0000 | |
| 202 | P | B | -1.0903 | |
| 203 | H | B | -1.4192 | |
| 204 | A | B | -0.6665 | |
| 205 | G | B | -0.5620 | |
| 206 | S | B | -0.4207 | |
| 207 | G | B | -0.3264 | |
| 208 | D | B | -0.1019 | |
| 209 | F | B | 0.9561 | |
| 210 | F | B | 0.0000 | |
| 211 | T | B | -0.4376 | |
| 212 | C | B | 0.0000 | |
| 213 | S | B | -0.4883 | |
| 214 | V | B | 0.0000 | |
| 215 | N | B | -1.6724 | |
| 216 | H | B | 0.0000 | |
| 217 | Q | B | -2.2607 | |
| 218 | A | B | -1.3009 | |
| 219 | T | B | -1.4851 | |
| 220 | R | B | -2.5470 | |
| 221 | T | B | -1.4857 | |
| 222 | S | B | -1.0419 | |
| 223 | L | B | -0.0240 | |
| 224 | T | B | -0.4780 | |
| 225 | Q | B | -0.5102 | |
| 226 | N | B | -1.0227 | |
| 227 | V | B | 0.0000 | |
| 228 | E | B | -0.0977 | |
| 229 | G | B | 0.0000 | |
| 230 | C | B | 0.0000 | |
| 231 | V | B | -0.0329 | |
| 232 | A | B | -0.7067 | |
| 233 | G | B | -1.5355 | |
| 234 | G | B | -1.8941 | |
| 235 | E | B | -2.4129 | |
| 236 | P | B | -1.5573 | |
| 237 | T | B | -1.2536 | |
| 238 | P | B | -1.1727 | |
| 239 | P | B | 0.0000 | |
| 240 | E | B | -2.1319 | |
| 241 | V | B | 0.0000 | |
| 242 | Q | B | -1.2831 | |
| 243 | V | B | 0.0000 | |
| 244 | L | B | 0.0000 | |
| 245 | H | B | 0.0000 | |
| 246 | S | B | -0.4492 | |
| 247 | S | B | -0.2707 | |
| 248 | V | B | -0.3906 | |
| 249 | C | B | -0.0743 | |
| 250 | S | B | 0.0591 | |
| 251 | T | B | 0.1039 | |
| 252 | L | B | 0.5088 | |
| 253 | G | B | -1.1798 | |
| 254 | D | B | -2.5265 | |
| 255 | D | B | -3.1180 | |
| 256 | S | B | -2.3807 | |
| 257 | V | B | 0.0000 | |
| 258 | E | B | -0.8657 | |
| 259 | L | B | 0.0000 | |
| 260 | L | B | 0.0000 | |
| 261 | C | B | 0.0000 | |
| 262 | V | B | -0.2806 | |
| 263 | I | B | 0.0000 | |
| 264 | T | B | -0.7821 | |
| 265 | G | B | -0.9725 | |
| 266 | F | B | 0.0000 | |
| 267 | S | B | 0.0000 | |
| 268 | P | B | -1.0201 | |
| 269 | P | B | 0.0000 | |
| 270 | P | B | -0.8658 | |
| 271 | V | B | -1.2037 | |
| 272 | E | B | -2.2500 | |
| 273 | V | B | -1.4390 | |
| 274 | E | B | -1.9397 | |
| 275 | W | B | 0.0000 | |
| 276 | L | B | 0.0000 | |
| 277 | V | B | -1.1948 | |
| 278 | D | B | -2.1684 | |
| 279 | G | B | -1.4307 | |
| 280 | A | B | -0.8714 | |
| 281 | P | B | -0.9943 | |
| 282 | A | B | -0.6369 | |
| 283 | H | B | -0.5179 | |
| 284 | L | B | 0.3521 | |
| 285 | V | B | 1.4576 | |
| 286 | A | B | 0.4525 | |
| 287 | T | B | 0.0546 | |
| 288 | M | B | -0.1559 | |
| 289 | T | B | -0.8903 | |
| 290 | R | B | -2.0206 | |
| 291 | P | B | -1.1217 | |
| 292 | Q | B | -1.1861 | |
| 293 | R | B | -1.4554 | |
| 294 | E | B | -1.3766 | |
| 295 | A | B | -1.3113 | |
| 296 | G | B | -1.4587 | |
| 297 | S | B | -1.4605 | |
| 298 | K | B | -2.3513 | |
| 299 | T | B | -1.5289 | |
| 300 | Y | B | 0.0000 | |
| 301 | M | B | -0.5811 | |
| 302 | A | B | 0.0000 | |
| 303 | T | B | 0.0000 | |
| 304 | S | B | 0.0000 | |
| 305 | Q | B | -0.4739 | |
| 306 | T | B | 0.0000 | |
| 307 | N | B | -1.2592 | |
| 308 | V | B | 0.0000 | |
| 309 | S | B | -2.1179 | |
| 310 | R | B | -2.5595 | |
| 311 | E | B | -2.8839 | |
| 312 | D | B | -1.9847 | |
| 313 | W | B | 0.0000 | |
| 314 | K | B | -2.2541 | |
| 315 | A | B | -1.4419 | |
| 316 | G | B | -1.3767 | |
| 317 | K | B | -1.8079 | |
| 318 | A | B | -1.4525 | |
| 319 | F | B | 0.0000 | |
| 320 | T | B | 0.0000 | |
| 321 | C | B | 0.0000 | |
| 322 | R | B | -2.2700 | |
| 323 | V | B | 0.0000 | |
| 324 | K | B | -2.2555 | |
| 325 | H | B | 0.0000 | |
| 326 | P | B | -0.9815 | |
| 327 | A | B | -0.4462 | |
| 328 | T | B | -0.8007 | |
| 329 | G | B | -0.8622 | |
| 330 | G | B | -0.7182 | |
| 331 | T | B | -1.4698 | |
| 332 | A | B | -1.5376 | |
| 333 | Q | B | -2.2398 | |
| 334 | G | B | 0.0000 | |
| 335 | H | B | -1.5096 | |
| 336 | A | B | 0.0000 | |
| 337 | R | B | -1.3223 | |
| 338 | F | B | -0.6786 | |
| 339 | C | B | -0.6224 | |
| 340 | P | B | -1.4343 | |
| 341 | E | B | -1.8090 | |
| 342 | F | B | -1.0261 |
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 | -0.3056 | 3.7208 | View | CSV | PDB |
| 4.5 | -0.3412 | 3.6566 | View | CSV | PDB |
| 5.0 | -0.3853 | 3.58 | View | CSV | PDB |
| 5.5 | -0.4294 | 3.4999 | View | CSV | PDB |
| 6.0 | -0.4644 | 3.4232 | View | CSV | PDB |
| 6.5 | -0.4833 | 3.3559 | View | CSV | PDB |
| 7.0 | -0.4861 | 3.2997 | View | CSV | PDB |
| 7.5 | -0.4795 | 3.2512 | View | CSV | PDB |
| 8.0 | -0.4693 | 3.2079 | View | CSV | PDB |
| 8.5 | -0.4568 | 3.1709 | View | CSV | PDB |
| 9.0 | -0.4408 | 3.1442 | 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