| Chain sequence(s) |
A: QVQLVESGGGVVQPGRSLRLSCTASGFTFSHYGMYWVRQAPGKGLEWVAVIWYDGSYEYNEDSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDRVGLFDYWGQGTLVTVSSASTKGPEVQLVESGGGLVQPGGSLRLSCAASGYTFTNYGMNWVRQAPGKGLEWVGWINTYTGEPTYAADFKRRFTFSLDTSKSTAYLQMNSLRAEDTAVYYCAKYPHYYGSSHWYFDVWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPK
B: EIVLTQSPGTLSLSPGERATLSCRASQSISSSYLAWYQQKPGQAPRLLIYGPSSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYAGSLTFGPGTKVDIKRTVAAPSVFIFPPDIQMTQSPSSLSASVGDRVTITCSASQDISNYLNWYQQKPGKAPKVLIYFTSSLHSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYSTVPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:06:05)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/336d783b98eaa78/tmp/folded.pdb (00:06:05)
[INFO] Main: Simulation completed successfully. (00:08:50)
|
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 | Q | A | -1.4009 | |
| 2 | V | A | -0.7118 | |
| 3 | Q | A | -0.7454 | |
| 4 | L | A | 0.0000 | |
| 5 | V | A | 0.3861 | |
| 6 | E | A | 0.0000 | |
| 7 | S | A | -0.5479 | |
| 8 | G | A | -0.9055 | |
| 9 | G | A | -0.3704 | |
| 10 | G | A | 0.1991 | |
| 11 | V | A | 0.8524 | |
| 12 | V | A | 0.0000 | |
| 13 | Q | A | -0.9924 | |
| 14 | P | A | -1.6532 | |
| 15 | G | A | -1.9561 | |
| 16 | R | A | -2.4851 | |
| 17 | S | A | -1.8923 | |
| 18 | L | A | -1.2017 | |
| 19 | R | A | -1.8748 | |
| 20 | L | A | 0.0000 | |
| 21 | S | A | -0.5539 | |
| 22 | C | A | 0.0000 | |
| 23 | T | A | -0.4294 | |
| 24 | A | A | 0.0000 | |
| 25 | S | A | -0.6949 | |
| 26 | G | A | -0.9448 | |
| 27 | F | A | -0.4596 | |
| 28 | T | A | -0.3458 | |
| 29 | F | A | 0.0000 | |
| 30 | S | A | -0.9428 | |
| 31 | H | A | -0.8841 | |
| 32 | Y | A | 0.0686 | |
| 33 | G | A | 0.0000 | |
| 34 | M | A | 0.0000 | |
| 35 | Y | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | R | A | 0.0000 | |
| 39 | Q | A | 0.0000 | |
| 40 | A | A | -1.0516 | |
| 41 | P | A | -0.5584 | |
| 42 | G | A | -0.8108 | |
| 43 | K | A | -1.9644 | |
| 44 | G | A | -1.1916 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | -1.0702 | |
| 47 | W | A | 0.0000 | |
| 48 | V | A | 0.0000 | |
| 49 | A | A | 0.0000 | |
| 50 | V | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | W | A | 0.2276 | |
| 53 | Y | A | -0.1378 | |
| 54 | D | A | -1.6332 | |
| 55 | G | A | -0.8916 | |
| 56 | S | A | -0.4232 | |
| 57 | Y | A | 0.2104 | |
| 58 | E | A | -0.7913 | |
| 59 | Y | A | -0.2741 | |
| 60 | N | A | -1.3430 | |
| 61 | E | A | -1.7888 | |
| 62 | D | A | -2.6329 | |
| 63 | S | A | -1.8333 | |
| 64 | V | A | 0.0000 | |
| 65 | K | A | -2.6432 | |
| 66 | G | A | -1.7504 | |
| 67 | R | A | 0.0000 | |
| 68 | F | A | 0.0000 | |
| 69 | T | A | -0.9814 | |
| 70 | I | A | 0.0000 | |
| 71 | S | A | -0.5572 | |
| 72 | R | A | -1.1261 | |
| 73 | D | A | -1.8830 | |
| 74 | N | A | -2.0084 | |
| 75 | S | A | -1.6302 | |
| 76 | K | A | -2.4108 | |
| 77 | N | A | -1.8073 | |
| 78 | T | A | 0.0000 | |
| 79 | L | A | 0.0000 | |
| 80 | Y | A | 0.0000 | |
| 81 | L | A | 0.0000 | |
| 82 | Q | A | -1.1402 | |
| 83 | M | A | 0.0000 | |
| 84 | N | A | -1.8310 | |
| 85 | S | A | -1.6106 | |
| 86 | L | A | 0.0000 | |
| 87 | R | A | -2.3622 | |
| 88 | A | A | -1.5593 | |
| 89 | E | A | -2.2106 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | -0.6417 | |
| 92 | A | A | 0.0000 | |
| 93 | V | A | 0.0000 | |
| 94 | Y | A | 0.0000 | |
| 95 | Y | A | 0.0000 | |
| 96 | C | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | R | A | 0.0000 | |
| 99 | D | A | 0.1013 | |
| 100 | R | A | -0.0490 | |
| 101 | V | A | 1.4066 | |
| 102 | G | A | 0.5586 | |
| 103 | L | A | 0.0000 | |
| 104 | F | A | 0.0000 | |
| 105 | D | A | -0.1538 | |
| 106 | Y | A | 0.0046 | |
| 107 | W | A | -0.0632 | |
| 108 | G | A | 0.0000 | |
| 109 | Q | A | -0.8160 | |
| 110 | G | A | 0.0000 | |
| 111 | T | A | -0.1837 | |
| 112 | L | A | 0.2741 | |
| 113 | V | A | 0.0000 | |
| 114 | T | A | 0.0414 | |
| 115 | V | A | 0.0000 | |
| 116 | S | A | -0.4877 | |
| 117 | S | A | -0.4514 | |
| 118 | A | A | -0.4806 | |
| 119 | S | A | -0.8144 | |
| 120 | T | A | -0.8872 | |
| 121 | K | A | -2.0772 | |
| 122 | G | A | -1.2587 | |
| 123 | P | A | -1.4558 | |
| 124 | E | A | -2.1302 | |
| 125 | V | A | -0.4987 | |
| 126 | Q | A | -0.7089 | |
| 127 | L | A | 0.0000 | |
| 128 | V | A | 0.3758 | |
| 129 | E | A | 0.0000 | |
| 130 | S | A | -0.4814 | |
| 131 | G | A | -0.8066 | |
| 132 | G | A | -0.3915 | |
| 133 | G | A | -0.2593 | |
| 134 | L | A | -0.0822 | |
| 135 | V | A | 0.0000 | |
| 136 | Q | A | -1.6470 | |
| 137 | P | A | -1.7155 | |
| 138 | G | A | -1.4130 | |
| 139 | G | A | -1.1155 | |
| 140 | S | A | -1.2263 | |
| 141 | L | A | -1.0755 | |
| 142 | R | A | -1.9116 | |
| 143 | L | A | 0.0000 | |
| 144 | S | A | -0.4425 | |
| 145 | C | A | 0.0000 | |
| 146 | A | A | -0.2019 | |
| 147 | A | A | 0.0000 | |
| 148 | S | A | -0.6662 | |
| 149 | G | A | -0.7303 | |
| 150 | Y | A | -0.0529 | |
| 151 | T | A | 0.0336 | |
| 152 | F | A | 0.0000 | |
| 153 | T | A | 0.1544 | |
| 154 | N | A | 0.0000 | |
| 155 | Y | A | 0.0000 | |
| 156 | G | A | 0.0000 | |
| 157 | M | A | 0.0000 | |
| 158 | N | A | 0.0000 | |
| 159 | W | A | 0.0000 | |
| 160 | V | A | 0.0000 | |
| 161 | R | A | 0.0000 | |
| 162 | Q | A | -0.8505 | |
| 163 | A | A | -1.2211 | |
| 164 | P | A | -0.9605 | |
| 165 | G | A | -1.4520 | |
| 166 | K | A | -2.3931 | |
| 167 | G | A | -1.6454 | |
| 168 | L | A | 0.0000 | |
| 169 | E | A | -1.2579 | |
| 170 | W | A | 0.0000 | |
| 171 | V | A | 0.0000 | |
| 172 | G | A | 0.0000 | |
| 173 | W | A | 0.0000 | |
| 174 | I | A | 0.0000 | |
| 175 | N | A | 0.0000 | |
| 176 | T | A | 0.0000 | |
| 177 | Y | A | 0.4355 | |
| 178 | T | A | -0.1202 | |
| 179 | G | A | -0.3209 | |
| 180 | E | A | -0.3825 | |
| 181 | P | A | -0.4868 | |
| 182 | T | A | -0.2713 | |
| 183 | Y | A | 0.0000 | |
| 184 | A | A | 0.0000 | |
| 185 | A | A | -1.4230 | |
| 186 | D | A | -2.5943 | |
| 187 | F | A | 0.0000 | |
| 188 | K | A | -3.0952 | |
| 189 | R | A | -3.0964 | |
| 190 | R | A | 0.0000 | |
| 191 | F | A | 0.0000 | |
| 192 | T | A | -1.0699 | |
| 193 | F | A | 0.0000 | |
| 194 | S | A | -0.1687 | |
| 195 | L | A | -0.2344 | |
| 196 | D | A | -0.9158 | |
| 197 | T | A | -0.7997 | |
| 198 | S | A | -1.1586 | |
| 199 | K | A | -1.9458 | |
| 200 | S | A | -1.0286 | |
| 201 | T | A | 0.0000 | |
| 202 | A | A | 0.0000 | |
| 203 | Y | A | -0.4088 | |
| 204 | L | A | 0.0000 | |
| 205 | Q | A | -1.1061 | |
| 206 | M | A | 0.0000 | |
| 207 | N | A | -1.5009 | |
| 208 | S | A | -1.3081 | |
| 209 | L | A | 0.0000 | |
| 210 | R | A | -2.1809 | |
| 211 | A | A | -1.6531 | |
| 212 | E | A | -2.1804 | |
| 213 | D | A | 0.0000 | |
| 214 | T | A | -0.6968 | |
| 215 | A | A | 0.0000 | |
| 216 | V | A | 0.2290 | |
| 217 | Y | A | 0.0000 | |
| 218 | Y | A | 0.0000 | |
| 219 | C | A | 0.0000 | |
| 220 | A | A | 0.0000 | |
| 221 | K | A | 0.0000 | |
| 222 | Y | A | 0.0000 | |
| 223 | P | A | -0.1297 | |
| 224 | H | A | -0.3503 | |
| 225 | Y | A | 0.0000 | |
| 226 | Y | A | 0.0000 | |
| 227 | G | A | 0.0000 | |
| 228 | S | A | -0.6489 | |
| 229 | S | A | -0.4071 | |
| 230 | H | A | 0.0139 | |
| 231 | W | A | 0.1620 | |
| 232 | Y | A | 0.0000 | |
| 233 | F | A | 0.0000 | |
| 234 | D | A | -0.3309 | |
| 235 | V | A | -0.0939 | |
| 236 | W | A | 0.0000 | |
| 237 | G | A | 0.0000 | |
| 238 | Q | A | -1.4305 | |
| 239 | G | A | -0.6510 | |
| 240 | T | A | -0.0905 | |
| 241 | L | A | 0.0910 | |
| 242 | V | A | 0.0000 | |
| 243 | T | A | 0.0000 | |
| 244 | V | A | 0.0000 | |
| 245 | S | A | -0.9699 | |
| 246 | S | A | -0.7378 | |
| 247 | A | A | -0.4597 | |
| 248 | S | A | -0.5546 | |
| 249 | T | A | -0.5746 | |
| 250 | K | A | -1.1439 | |
| 251 | G | A | -1.3478 | |
| 252 | P | A | 0.0000 | |
| 253 | S | A | -0.4014 | |
| 254 | V | A | 0.0000 | |
| 255 | F | A | 0.0000 | |
| 256 | P | A | -1.1051 | |
| 257 | L | A | 0.0000 | |
| 258 | A | A | -1.2506 | |
| 259 | P | A | 0.0000 | |
| 260 | S | A | -1.0094 | |
| 261 | S | A | -0.7782 | |
| 262 | K | A | -1.0133 | |
| 263 | S | A | 0.0000 | |
| 264 | T | A | -0.6879 | |
| 265 | S | A | -0.7080 | |
| 266 | G | A | -0.8033 | |
| 267 | G | A | -0.8686 | |
| 268 | T | A | -0.6078 | |
| 269 | A | A | 0.0000 | |
| 270 | A | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | G | A | 0.0000 | |
| 273 | C | A | 0.0000 | |
| 274 | L | A | 0.0000 | |
| 275 | V | A | 0.0000 | |
| 276 | K | A | 0.0000 | |
| 277 | D | A | -0.3464 | |
| 278 | Y | A | 0.0000 | |
| 279 | F | A | 0.0000 | |
| 280 | P | A | 0.0000 | |
| 281 | E | A | -0.4057 | |
| 282 | P | A | -0.6864 | |
| 283 | V | A | -0.7573 | |
| 284 | T | A | -0.7043 | |
| 285 | V | A | -0.2278 | |
| 286 | S | A | -0.4044 | |
| 287 | W | A | 0.0000 | |
| 288 | N | A | -0.7039 | |
| 289 | S | A | -0.6158 | |
| 290 | G | A | -0.4721 | |
| 291 | A | A | -0.2169 | |
| 292 | L | A | 0.0328 | |
| 293 | T | A | -0.1523 | |
| 294 | S | A | -0.1668 | |
| 295 | G | A | -0.1941 | |
| 296 | V | A | 0.1909 | |
| 297 | H | A | -0.3049 | |
| 298 | T | A | 0.0206 | |
| 299 | F | A | 0.0000 | |
| 300 | P | A | -0.3067 | |
| 301 | A | A | 0.2389 | |
| 302 | V | A | 0.5325 | |
| 303 | L | A | 1.1451 | |
| 304 | Q | A | 0.2860 | |
| 305 | S | A | -0.1776 | |
| 306 | S | A | -0.2062 | |
| 307 | G | A | 0.0411 | |
| 308 | L | A | 0.1458 | |
| 309 | Y | A | 0.4695 | |
| 310 | S | A | 0.0000 | |
| 311 | L | A | 0.0000 | |
| 312 | S | A | 0.0000 | |
| 313 | S | A | 0.0000 | |
| 314 | V | A | 0.0000 | |
| 315 | V | A | 0.0000 | |
| 316 | T | A | -0.1259 | |
| 317 | V | A | 0.0000 | |
| 318 | P | A | -0.6007 | |
| 319 | S | A | -0.5624 | |
| 320 | S | A | -0.5680 | |
| 321 | S | A | -0.5393 | |
| 322 | L | A | -0.7517 | |
| 323 | G | A | -0.9275 | |
| 324 | T | A | -0.6525 | |
| 325 | Q | A | -1.0823 | |
| 326 | T | A | -1.0534 | |
| 327 | Y | A | 0.0000 | |
| 328 | I | A | -1.1563 | |
| 329 | C | A | 0.0000 | |
| 330 | N | A | -1.4699 | |
| 331 | V | A | 0.0000 | |
| 332 | N | A | -2.3096 | |
| 333 | H | A | 0.0000 | |
| 334 | K | A | -2.8312 | |
| 335 | P | A | -1.5751 | |
| 336 | S | A | -1.8634 | |
| 337 | N | A | -2.6456 | |
| 338 | T | A | -2.1630 | |
| 339 | K | A | -2.8039 | |
| 340 | V | A | -1.5360 | |
| 341 | D | A | -2.2624 | |
| 342 | K | A | -1.9432 | |
| 343 | K | A | -2.4242 | |
| 344 | V | A | 0.0000 | |
| 345 | E | A | -2.8228 | |
| 346 | P | A | -1.9323 | |
| 347 | K | A | -2.0924 | |
| 1 | E | B | -1.5735 | |
| 2 | I | B | -0.3027 | |
| 3 | V | B | 0.9001 | |
| 4 | L | B | 0.0000 | |
| 5 | T | B | -0.3892 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.7032 | |
| 8 | P | B | -0.5064 | |
| 9 | G | B | -0.7149 | |
| 10 | T | B | -0.5438 | |
| 11 | L | B | -0.2129 | |
| 12 | S | B | -0.5847 | |
| 13 | L | B | -0.9392 | |
| 14 | S | B | -1.4866 | |
| 15 | P | B | -1.6598 | |
| 16 | G | B | -2.1091 | |
| 17 | E | B | -2.7741 | |
| 18 | R | B | -3.2066 | |
| 19 | A | B | 0.0000 | |
| 20 | T | B | -0.6541 | |
| 21 | L | B | 0.0000 | |
| 22 | S | B | -0.8144 | |
| 23 | C | B | 0.0000 | |
| 24 | R | B | -1.8983 | |
| 25 | A | B | 0.0000 | |
| 26 | S | B | -0.9076 | |
| 27 | Q | B | -1.6214 | |
| 28 | S | B | -1.2754 | |
| 29 | I | B | 0.0000 | |
| 30 | S | B | -0.1043 | |
| 31 | S | B | -0.3052 | |
| 32 | S | B | 0.1545 | |
| 33 | Y | B | 0.9551 | |
| 34 | L | B | 0.0000 | |
| 35 | A | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | Y | B | 0.0000 | |
| 38 | Q | B | 0.0000 | |
| 39 | Q | B | 0.0000 | |
| 40 | K | B | -1.0123 | |
| 41 | P | B | -0.4244 | |
| 42 | G | B | 0.0000 | |
| 43 | Q | B | -0.9529 | |
| 44 | A | B | -0.6825 | |
| 45 | P | B | 0.0000 | |
| 46 | R | B | -0.7433 | |
| 47 | L | B | 0.0000 | |
| 48 | L | B | 0.0000 | |
| 49 | I | B | 0.0000 | |
| 50 | Y | B | -0.0821 | |
| 51 | G | B | -0.1019 | |
| 52 | P | B | -0.5156 | |
| 53 | S | B | -0.7261 | |
| 54 | S | B | -0.7489 | |
| 55 | R | B | -1.4915 | |
| 56 | A | B | -0.7351 | |
| 57 | T | B | -0.5322 | |
| 58 | G | B | -0.8035 | |
| 59 | I | B | -0.9176 | |
| 60 | P | B | -1.2453 | |
| 61 | D | B | -2.3467 | |
| 62 | R | B | -1.9362 | |
| 63 | F | B | 0.0000 | |
| 64 | S | B | -0.8727 | |
| 65 | G | B | 0.0000 | |
| 66 | S | B | -0.6687 | |
| 67 | G | B | -1.0501 | |
| 68 | S | B | -0.9200 | |
| 69 | G | B | -1.1425 | |
| 70 | T | B | -1.6234 | |
| 71 | D | B | -2.0011 | |
| 72 | F | B | 0.0000 | |
| 73 | T | B | -0.7224 | |
| 74 | L | B | 0.0000 | |
| 75 | T | B | -0.7930 | |
| 76 | I | B | 0.0000 | |
| 77 | S | B | -2.3508 | |
| 78 | R | B | -3.4711 | |
| 79 | L | B | 0.0000 | |
| 80 | E | B | -2.5030 | |
| 81 | P | B | -1.6298 | |
| 82 | E | B | -2.2639 | |
| 83 | D | B | 0.0000 | |
| 84 | F | B | -0.6103 | |
| 85 | A | B | 0.0000 | |
| 86 | V | B | -0.2270 | |
| 87 | Y | B | 0.0000 | |
| 88 | Y | B | 0.0000 | |
| 89 | C | B | 0.0000 | |
| 90 | Q | B | 0.0000 | |
| 91 | Q | B | 0.0000 | |
| 92 | Y | B | 0.5773 | |
| 93 | A | B | 0.0975 | |
| 94 | G | B | -0.6541 | |
| 95 | S | B | -0.8305 | |
| 96 | L | B | 0.0000 | |
| 97 | T | B | -0.0465 | |
| 98 | F | B | 0.2652 | |
| 99 | G | B | 0.0000 | |
| 100 | P | B | -0.4883 | |
| 101 | G | B | 0.0000 | |
| 102 | T | B | 0.0000 | |
| 103 | K | B | -0.6252 | |
| 104 | V | B | 0.0000 | |
| 105 | D | B | -0.6044 | |
| 106 | I | B | -0.2055 | |
| 107 | K | B | -1.4357 | |
| 108 | R | B | -1.7009 | |
| 109 | T | B | -0.2730 | |
| 110 | V | B | 1.0853 | |
| 111 | A | B | 0.5061 | |
| 112 | A | B | 0.5830 | |
| 113 | P | B | 0.8277 | |
| 114 | S | B | 1.4793 | |
| 115 | V | B | 3.5127 | |
| 116 | F | B | 4.3120 | |
| 117 | I | B | 4.3396 | |
| 118 | F | B | 3.5144 | |
| 119 | P | B | 1.1734 | |
| 120 | P | B | -0.2864 | |
| 121 | D | B | -1.1622 | |
| 122 | I | B | 0.0000 | |
| 123 | Q | B | -1.8806 | |
| 124 | M | B | 0.0000 | |
| 125 | T | B | -0.9187 | |
| 126 | Q | B | 0.0000 | |
| 127 | S | B | -0.6731 | |
| 128 | P | B | -0.6058 | |
| 129 | S | B | -0.9766 | |
| 130 | S | B | -1.0229 | |
| 131 | L | B | -0.7154 | |
| 132 | S | B | -1.0324 | |
| 133 | A | B | 0.0000 | |
| 134 | S | B | -0.9920 | |
| 135 | V | B | -0.3016 | |
| 136 | G | B | -0.8964 | |
| 137 | D | B | -1.8960 | |
| 138 | R | B | -2.3403 | |
| 139 | V | B | 0.0000 | |
| 140 | T | B | -0.6407 | |
| 141 | I | B | 0.0000 | |
| 142 | T | B | -0.5992 | |
| 143 | C | B | 0.0000 | |
| 144 | S | B | -1.4917 | |
| 145 | A | B | 0.0000 | |
| 146 | S | B | -1.9398 | |
| 147 | Q | B | -2.7496 | |
| 148 | D | B | -2.7658 | |
| 149 | I | B | 0.0000 | |
| 150 | S | B | -1.0763 | |
| 151 | N | B | -0.5040 | |
| 152 | Y | B | 0.2833 | |
| 153 | L | B | 0.0000 | |
| 154 | N | B | 0.0000 | |
| 155 | W | B | 0.0000 | |
| 156 | Y | B | 0.0000 | |
| 157 | Q | B | -0.9772 | |
| 158 | Q | B | 0.0000 | |
| 159 | K | B | -2.0464 | |
| 160 | P | B | -1.5034 | |
| 161 | G | B | -1.8381 | |
| 162 | K | B | -2.5954 | |
| 163 | A | B | -1.6398 | |
| 164 | P | B | 0.0000 | |
| 165 | K | B | -1.4223 | |
| 166 | V | B | 0.0000 | |
| 167 | L | B | 0.0000 | |
| 168 | I | B | 0.0000 | |
| 169 | Y | B | 0.5863 | |
| 170 | F | B | 0.7458 | |
| 171 | T | B | 0.0000 | |
| 172 | S | B | -0.0327 | |
| 173 | S | B | 0.2650 | |
| 174 | L | B | 0.3982 | |
| 175 | H | B | -0.2125 | |
| 176 | S | B | -0.3639 | |
| 177 | G | B | -0.4896 | |
| 178 | V | B | -0.2952 | |
| 179 | P | B | -0.3237 | |
| 180 | S | B | -0.3928 | |
| 181 | R | B | -0.7645 | |
| 182 | F | B | 0.0000 | |
| 183 | S | B | -0.3190 | |
| 184 | G | B | -0.1811 | |
| 185 | S | B | -0.7076 | |
| 186 | G | B | -1.0964 | |
| 187 | S | B | -1.2091 | |
| 188 | G | B | -1.7438 | |
| 189 | T | B | -2.1047 | |
| 190 | D | B | -2.4529 | |
| 191 | F | B | 0.0000 | |
| 192 | T | B | -0.6722 | |
| 193 | L | B | 0.0000 | |
| 194 | T | B | -0.6184 | |
| 195 | I | B | 0.0000 | |
| 196 | S | B | -1.3306 | |
| 197 | S | B | -1.2224 | |
| 198 | L | B | 0.0000 | |
| 199 | Q | B | -0.9385 | |
| 200 | P | B | -1.4939 | |
| 201 | E | B | -1.8291 | |
| 202 | D | B | 0.0000 | |
| 203 | F | B | -1.2242 | |
| 204 | A | B | 0.0000 | |
| 205 | T | B | 0.0000 | |
| 206 | Y | B | 0.0000 | |
| 207 | Y | B | 0.0000 | |
| 208 | C | B | 0.0000 | |
| 209 | Q | B | 0.0000 | |
| 210 | Q | B | 0.0000 | |
| 211 | Y | B | 0.0000 | |
| 212 | S | B | -0.1800 | |
| 213 | T | B | 0.1496 | |
| 214 | V | B | 0.7607 | |
| 215 | P | B | 0.2153 | |
| 216 | W | B | 0.0000 | |
| 217 | T | B | -0.5363 | |
| 218 | F | B | -0.5296 | |
| 219 | G | B | 0.0000 | |
| 220 | Q | B | -1.8335 | |
| 221 | G | B | 0.0000 | |
| 222 | T | B | 0.0000 | |
| 223 | K | B | -2.0905 | |
| 224 | V | B | 0.0000 | |
| 225 | E | B | -1.4366 | |
| 226 | I | B | 0.0000 | |
| 227 | K | B | -1.3409 | |
| 228 | R | B | -0.9189 | |
| 229 | T | B | -0.1133 | |
| 230 | V | B | 0.3320 | |
| 231 | A | B | -0.0161 | |
| 232 | A | B | -0.0910 | |
| 233 | P | B | 0.0000 | |
| 234 | S | B | -0.2225 | |
| 235 | V | B | 0.0000 | |
| 236 | F | B | 0.0000 | |
| 237 | I | B | 0.0000 | |
| 238 | F | B | 0.0000 | |
| 239 | P | B | -0.5157 | |
| 240 | P | B | 0.0000 | |
| 241 | S | B | 0.0000 | |
| 242 | D | B | -2.8819 | |
| 243 | E | B | -2.8844 | |
| 244 | Q | B | 0.0000 | |
| 245 | L | B | -2.2145 | |
| 246 | K | B | -2.8172 | |
| 247 | S | B | -1.7514 | |
| 248 | G | B | -1.3207 | |
| 249 | T | B | -0.9520 | |
| 250 | A | B | 0.0000 | |
| 251 | S | B | 0.0000 | |
| 252 | V | B | 0.0000 | |
| 253 | V | B | 0.0000 | |
| 254 | C | B | 0.0000 | |
| 255 | L | B | 0.0000 | |
| 256 | L | B | 0.0000 | |
| 257 | N | B | 0.0000 | |
| 258 | N | B | -0.8565 | |
| 259 | F | B | 0.0000 | |
| 260 | Y | B | -1.0180 | |
| 261 | P | B | -1.5813 | |
| 262 | R | B | -2.7773 | |
| 263 | E | B | -3.1134 | |
| 264 | A | B | -2.2812 | |
| 265 | K | B | -2.4877 | |
| 266 | V | B | -1.1636 | |
| 267 | Q | B | -0.8521 | |
| 268 | W | B | 0.0000 | |
| 269 | K | B | -0.7478 | |
| 270 | V | B | 0.0000 | |
| 271 | D | B | -1.9152 | |
| 272 | N | B | -1.6017 | |
| 273 | A | B | -0.4492 | |
| 274 | L | B | 0.2511 | |
| 275 | Q | B | -0.5227 | |
| 276 | S | B | -0.7643 | |
| 277 | G | B | -1.2582 | |
| 278 | N | B | -1.5849 | |
| 279 | S | B | -1.3806 | |
| 280 | Q | B | -1.2634 | |
| 281 | E | B | -1.3794 | |
| 282 | S | B | -0.7678 | |
| 283 | V | B | -0.7157 | |
| 284 | T | B | -1.1231 | |
| 285 | E | B | -2.1849 | |
| 286 | Q | B | 0.0000 | |
| 287 | D | B | -2.0300 | |
| 288 | S | B | -2.1551 | |
| 289 | K | B | -2.5016 | |
| 290 | D | B | -1.7693 | |
| 291 | S | B | 0.0000 | |
| 292 | T | B | 0.0000 | |
| 293 | Y | B | 0.0000 | |
| 294 | S | B | 0.0000 | |
| 295 | L | B | 0.0000 | |
| 296 | S | B | 0.0000 | |
| 297 | S | B | 0.0000 | |
| 298 | T | B | -0.6287 | |
| 299 | L | B | 0.0000 | |
| 300 | T | B | -0.5977 | |
| 301 | L | B | -0.6724 | |
| 302 | S | B | -0.8576 | |
| 303 | K | B | -1.8329 | |
| 304 | A | B | -1.5856 | |
| 305 | D | B | -2.0902 | |
| 306 | Y | B | 0.0000 | |
| 307 | E | B | -3.0284 | |
| 308 | K | B | -3.3175 | |
| 309 | H | B | -2.7618 | |
| 310 | K | B | -3.0684 | |
| 311 | V | B | -1.3486 | |
| 312 | Y | B | 0.0000 | |
| 313 | A | B | 0.0000 | |
| 314 | C | B | 0.0000 | |
| 315 | E | B | -0.7713 | |
| 316 | V | B | 0.0000 | |
| 317 | T | B | -1.2727 | |
| 318 | H | B | 0.0000 | |
| 319 | Q | B | -1.7279 | |
| 320 | G | B | -0.4003 | |
| 321 | L | B | -0.2457 | |
| 322 | S | B | -0.4615 | |
| 323 | S | B | -0.4345 | |
| 324 | P | B | -0.5681 | |
| 325 | V | B | 0.0322 | |
| 326 | T | B | -0.4328 | |
| 327 | K | B | -0.7924 | |
| 328 | S | B | -0.6493 | |
| 329 | F | B | 0.0000 | |
| 330 | N | B | -1.6558 | |
| 331 | R | B | -2.2476 | |
| 332 | G | B | -1.8533 | |
| 333 | E | B | -2.1153 | |
| 334 | C | B | -0.9127 |
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 | -0.6027 | 8.6754 | View | CSV | PDB |
| 4.5 | -0.6419 | 8.6395 | View | CSV | PDB |
| 5.0 | -0.6868 | 8.6008 | View | CSV | PDB |
| 5.5 | -0.7294 | 8.561 | View | CSV | PDB |
| 6.0 | -0.7602 | 8.521 | View | CSV | PDB |
| 6.5 | -0.772 | 8.4809 | View | CSV | PDB |
| 7.0 | -0.7654 | 8.4412 | View | CSV | PDB |
| 7.5 | -0.7463 | 8.4025 | View | CSV | PDB |
| 8.0 | -0.7192 | 8.3666 | View | CSV | PDB |
| 8.5 | -0.6857 | 8.3374 | View | CSV | PDB |
| 9.0 | -0.6461 | 8.3189 | 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