| Chain sequence(s) |
A: MSSFVPNKEQTRTVLIFCFHLKKTAAESHRMLVEAFGEQVPTVKKCERWFQRFKSGDFDVDDKEHGKPPKRYEDAELQALLDEDDAQTQKQLAEQLEVSQQAVSNRLREMGKIQKVGRWVPHELNERQMERRKNTCEILLSRYKRKSFLHRIVTGDEKWIFFVSPKRKKSYVDPGQPATSTARPNRFGKKTMLCVWWDQSGVIYYELLKRGETVNTARYQQQLINLNRALQRKRPEYQKRQHRVIFLHDNAPSHTARAVRDTLETLNWEVLPHAAYSPDLAPSDYHLFASMGHALAEQRFDSYESVKKWLDEWFAAKDDEFYWRGIHKLPERWEKCVASDGKYLE
B: MSSFVPNKEQTRTVLIFCFHLKKTAAESHRMLVEAFGEQVPTVKKCERWFQRFKSGDFDVDDKEHGKPPKRYEDAELQALLDEDDAQTQKQLAEQLEVSQQAVSNRLREMGKIQKVGRWVPHELNERQMERRKNTCEILLSRYKRKSFLHRIVTGDEKWIFFVSPKRKKSYVDPGQPATSTARPNRFGKKTMLCVWWDQSGVIYYELLKRGETVNTARYQQQLINLNRALQRKRPEYQKRQHRVIFLHDNAPSHTARAVRDTLETLNWEVLPHAAYSPDLAPSDYHLFASMGHALAEQRFDSYESVKKWLDEWFAAKDDEFYWRGIHKLPERWEKCVASDGKYLE 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] (00:00:01)
[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 partially or entirely disordered. Average 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 (00:25:08)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/5e31df60d42f795/tmp/folded.pdb (00:25:08)
[INFO] Main: Simulation completed successfully. (00:30:22)
|
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 | M | A | 1.0134 | |
| 2 | S | A | -0.0518 | |
| 3 | S | A | -0.2138 | |
| 4 | F | A | 0.3197 | |
| 5 | V | A | 0.9316 | |
| 6 | P | A | -0.0712 | |
| 7 | N | A | -1.5165 | |
| 8 | K | A | -2.0142 | |
| 9 | E | A | -0.7930 | |
| 10 | Q | A | -0.2034 | |
| 11 | T | A | 0.0000 | |
| 12 | R | A | 0.0000 | |
| 13 | T | A | 0.0000 | |
| 14 | V | A | 0.0000 | |
| 15 | L | A | 0.0000 | |
| 16 | I | A | 0.0000 | |
| 17 | F | A | 0.0000 | |
| 18 | C | A | 0.0000 | |
| 19 | F | A | 0.2482 | |
| 20 | H | A | -0.0161 | |
| 21 | L | A | -0.0910 | |
| 22 | K | A | -1.8063 | |
| 23 | K | A | -1.1281 | |
| 24 | T | A | -0.2039 | |
| 25 | A | A | 0.0002 | |
| 26 | A | A | -0.1396 | |
| 27 | E | A | -0.7626 | |
| 28 | S | A | 0.0000 | |
| 29 | H | A | -0.4680 | |
| 30 | R | A | -1.8417 | |
| 31 | M | A | -0.2197 | |
| 32 | L | A | 0.0000 | |
| 33 | V | A | 0.3785 | |
| 34 | E | A | -1.6800 | |
| 35 | A | A | 0.0000 | |
| 36 | F | A | 0.0000 | |
| 37 | G | A | -0.3646 | |
| 38 | E | A | -2.0618 | |
| 39 | Q | A | -1.4950 | |
| 40 | V | A | -0.0336 | |
| 41 | P | A | -0.0261 | |
| 42 | T | A | 0.0052 | |
| 43 | V | A | 0.1061 | |
| 44 | K | A | -1.7925 | |
| 45 | K | A | -1.2383 | |
| 46 | C | A | 0.0000 | |
| 47 | E | A | -2.0937 | |
| 48 | R | A | -2.1804 | |
| 49 | W | A | 0.0000 | |
| 50 | F | A | 0.0000 | |
| 51 | Q | A | -1.3920 | |
| 52 | R | A | -1.2561 | |
| 53 | F | A | 0.0000 | |
| 54 | K | A | -1.7404 | |
| 55 | S | A | -0.6788 | |
| 56 | G | A | -0.3835 | |
| 57 | D | A | -0.7728 | |
| 58 | F | A | 0.0000 | |
| 59 | D | A | -1.3158 | |
| 60 | V | A | 0.0000 | |
| 61 | D | A | -1.9038 | |
| 62 | D | A | -1.3699 | |
| 63 | K | A | -1.6607 | |
| 64 | E | A | -2.3372 | |
| 65 | H | A | -1.3875 | |
| 66 | G | A | -0.9990 | |
| 67 | K | A | -1.7764 | |
| 68 | P | A | -0.7115 | |
| 69 | P | A | -0.5257 | |
| 70 | K | A | -1.5605 | |
| 71 | R | A | -2.0085 | |
| 72 | Y | A | -0.4282 | |
| 73 | E | A | -1.4195 | |
| 74 | D | A | -1.9121 | |
| 75 | A | A | -0.7826 | |
| 76 | E | A | -1.5911 | |
| 77 | L | A | 0.0000 | |
| 78 | Q | A | -0.3630 | |
| 79 | A | A | -0.3622 | |
| 80 | L | A | 0.2097 | |
| 81 | L | A | 0.0000 | |
| 82 | D | A | -2.1321 | |
| 83 | E | A | -2.3072 | |
| 84 | D | A | -1.2536 | |
| 85 | D | A | -0.8676 | |
| 86 | A | A | -0.1285 | |
| 87 | Q | A | 0.0000 | |
| 88 | T | A | -0.1354 | |
| 89 | Q | A | -0.7343 | |
| 90 | K | A | -1.9013 | |
| 91 | Q | A | -1.2502 | |
| 92 | L | A | 0.0000 | |
| 93 | A | A | 0.0000 | |
| 94 | E | A | -2.2216 | |
| 95 | Q | A | -1.4406 | |
| 96 | L | A | -0.3147 | |
| 97 | E | A | -1.8821 | |
| 98 | V | A | 0.0714 | |
| 99 | S | A | -0.2536 | |
| 100 | Q | A | -1.2488 | |
| 101 | Q | A | -1.3970 | |
| 102 | A | A | -0.2235 | |
| 103 | V | A | 0.0000 | |
| 104 | S | A | -0.3636 | |
| 105 | N | A | -0.8168 | |
| 106 | R | A | 0.0000 | |
| 107 | L | A | 0.0000 | |
| 108 | R | A | -2.2096 | |
| 109 | E | A | -2.1291 | |
| 110 | M | A | -0.1507 | |
| 111 | G | A | -0.3707 | |
| 112 | K | A | -0.2073 | |
| 113 | I | A | 0.6465 | |
| 114 | Q | A | -0.4999 | |
| 115 | K | A | -0.5018 | |
| 116 | V | A | 0.1534 | |
| 117 | G | A | 0.0000 | |
| 118 | R | A | -1.1460 | |
| 119 | W | A | 0.2346 | |
| 120 | V | A | 0.0000 | |
| 121 | P | A | -0.1487 | |
| 122 | H | A | -0.6334 | |
| 123 | E | A | -1.8328 | |
| 124 | L | A | -0.2947 | |
| 125 | N | A | -1.0842 | |
| 126 | E | A | -2.3116 | |
| 127 | R | A | -2.2223 | |
| 128 | Q | A | -0.5095 | |
| 129 | M | A | -0.1602 | |
| 130 | E | A | -2.1283 | |
| 131 | R | A | -2.1931 | |
| 132 | R | A | 0.0000 | |
| 133 | K | A | -0.4122 | |
| 134 | N | A | -0.4769 | |
| 135 | T | A | 0.0000 | |
| 136 | C | A | 0.0000 | |
| 137 | E | A | -0.9094 | |
| 138 | I | A | 1.7627 | |
| 139 | L | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | S | A | -0.1481 | |
| 142 | R | A | -0.3823 | |
| 143 | Y | A | 0.0154 | |
| 144 | K | A | -1.9671 | |
| 145 | R | A | -2.4853 | |
| 146 | K | A | -2.0862 | |
| 147 | S | A | -0.4891 | |
| 148 | F | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | H | A | -0.5688 | |
| 151 | R | A | -0.3657 | |
| 152 | I | A | 0.0000 | |
| 153 | V | A | 0.0000 | |
| 154 | T | A | 0.0000 | |
| 155 | G | A | 0.0000 | |
| 156 | D | A | -0.3886 | |
| 157 | E | A | -0.5264 | |
| 158 | K | A | -0.5454 | |
| 159 | W | A | 0.1956 | |
| 160 | I | A | 0.0000 | |
| 161 | F | A | 0.5621 | |
| 162 | F | A | 0.0000 | |
| 163 | V | A | 0.5173 | |
| 164 | S | A | -0.0530 | |
| 165 | P | A | -0.3593 | |
| 166 | K | A | -1.8998 | |
| 167 | R | A | -2.0692 | |
| 168 | K | A | -1.8137 | |
| 169 | K | A | -1.5269 | |
| 170 | S | A | 0.0000 | |
| 171 | Y | A | 0.0000 | |
| 172 | V | A | 0.0000 | |
| 173 | D | A | -1.1123 | |
| 174 | P | A | -0.5454 | |
| 175 | G | A | -0.6648 | |
| 176 | Q | A | -0.9508 | |
| 177 | P | A | -0.4086 | |
| 178 | A | A | -0.0465 | |
| 179 | T | A | -0.0664 | |
| 180 | S | A | -0.3174 | |
| 181 | T | A | -0.0420 | |
| 182 | A | A | -0.2724 | |
| 183 | R | A | -1.5236 | |
| 184 | P | A | -0.6528 | |
| 185 | N | A | -1.3214 | |
| 186 | R | A | -1.6563 | |
| 187 | F | A | 1.5802 | |
| 188 | G | A | -0.0315 | |
| 189 | K | A | -1.2559 | |
| 190 | K | A | -0.6367 | |
| 191 | T | A | 0.0000 | |
| 192 | M | A | 0.0000 | |
| 193 | L | A | 0.0000 | |
| 194 | C | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | W | A | 0.0000 | |
| 197 | W | A | 0.0000 | |
| 198 | D | A | 0.0000 | |
| 199 | Q | A | -0.2011 | |
| 200 | S | A | -0.2650 | |
| 201 | G | A | 0.0000 | |
| 202 | V | A | 0.2774 | |
| 203 | I | A | 0.0000 | |
| 204 | Y | A | 0.3118 | |
| 205 | Y | A | 0.2242 | |
| 206 | E | A | -0.1994 | |
| 207 | L | A | 0.1151 | |
| 208 | L | A | 0.0000 | |
| 209 | K | A | -2.0599 | |
| 210 | R | A | -2.2622 | |
| 211 | G | A | -0.8731 | |
| 212 | E | A | -0.4521 | |
| 213 | T | A | -0.1369 | |
| 214 | V | A | 0.0000 | |
| 215 | N | A | -1.2790 | |
| 216 | T | A | -0.2642 | |
| 217 | A | A | -0.0352 | |
| 218 | R | A | -0.4526 | |
| 219 | Y | A | 0.0000 | |
| 220 | Q | A | -0.7566 | |
| 221 | Q | A | -1.0883 | |
| 222 | Q | A | 0.0000 | |
| 223 | L | A | 0.0000 | |
| 224 | I | A | 0.4940 | |
| 225 | N | A | -0.1028 | |
| 226 | L | A | 0.0000 | |
| 227 | N | A | -0.4903 | |
| 228 | R | A | -1.4690 | |
| 229 | A | A | -0.2627 | |
| 230 | L | A | 0.0000 | |
| 231 | Q | A | -1.2566 | |
| 232 | R | A | -2.3154 | |
| 233 | K | A | -1.9867 | |
| 234 | R | A | -0.5610 | |
| 235 | P | A | -0.4333 | |
| 236 | E | A | -0.9973 | |
| 237 | Y | A | -0.2934 | |
| 238 | Q | A | -1.5023 | |
| 239 | K | A | -2.2616 | |
| 240 | R | A | -2.3569 | |
| 241 | Q | A | -1.5720 | |
| 242 | H | A | -0.6362 | |
| 243 | R | A | -0.8542 | |
| 244 | V | A | 0.0000 | |
| 245 | I | A | 0.0000 | |
| 246 | F | A | 0.0000 | |
| 247 | L | A | 0.0000 | |
| 248 | H | A | 0.0000 | |
| 249 | D | A | -0.5270 | |
| 250 | N | A | -0.7254 | |
| 251 | A | A | -0.1585 | |
| 252 | P | A | -0.2573 | |
| 253 | S | A | -0.0778 | |
| 254 | H | A | 0.0000 | |
| 255 | T | A | -0.0163 | |
| 256 | A | A | -0.3435 | |
| 257 | R | A | -2.0208 | |
| 258 | A | A | -0.3066 | |
| 259 | V | A | 0.0000 | |
| 260 | R | A | -2.3691 | |
| 261 | D | A | -2.1382 | |
| 262 | T | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | E | A | -1.9716 | |
| 265 | T | A | -0.3699 | |
| 266 | L | A | -0.0237 | |
| 267 | N | A | -1.4283 | |
| 268 | W | A | 0.0000 | |
| 269 | E | A | -0.4133 | |
| 270 | V | A | 0.7408 | |
| 271 | L | A | 0.0000 | |
| 272 | P | A | -0.1337 | |
| 273 | H | A | -0.1393 | |
| 274 | A | A | 0.0000 | |
| 275 | A | A | 0.2585 | |
| 276 | Y | A | 1.3190 | |
| 277 | S | A | 0.0000 | |
| 278 | P | A | -0.0958 | |
| 279 | D | A | -0.2126 | |
| 280 | L | A | 0.0000 | |
| 281 | A | A | 0.0060 | |
| 282 | P | A | 0.0000 | |
| 283 | S | A | 0.0000 | |
| 284 | D | A | -0.6750 | |
| 285 | Y | A | 0.0083 | |
| 286 | H | A | -0.1138 | |
| 287 | L | A | 0.0000 | |
| 288 | F | A | 0.0000 | |
| 289 | A | A | 0.0240 | |
| 290 | S | A | -0.0530 | |
| 291 | M | A | 0.0000 | |
| 292 | G | A | -0.3574 | |
| 293 | H | A | -1.0199 | |
| 294 | A | A | -0.1514 | |
| 295 | L | A | 0.1588 | |
| 296 | A | A | -0.2884 | |
| 297 | E | A | -1.8904 | |
| 298 | Q | A | -1.0851 | |
| 299 | R | A | -1.9151 | |
| 300 | F | A | 0.0000 | |
| 301 | D | A | -1.8011 | |
| 302 | S | A | -0.2921 | |
| 303 | Y | A | 0.2472 | |
| 304 | E | A | -1.7979 | |
| 305 | S | A | -0.4189 | |
| 306 | V | A | 0.0000 | |
| 307 | K | A | -1.3024 | |
| 308 | K | A | -1.8186 | |
| 309 | W | A | -0.1597 | |
| 310 | L | A | 0.0000 | |
| 311 | D | A | -1.8027 | |
| 312 | E | A | -2.0778 | |
| 313 | W | A | -0.2295 | |
| 314 | F | A | 0.0000 | |
| 315 | A | A | 0.0695 | |
| 316 | A | A | -0.0489 | |
| 317 | K | A | -0.9519 | |
| 318 | D | A | -2.2408 | |
| 319 | D | A | -2.3692 | |
| 320 | E | A | -1.4732 | |
| 321 | F | A | 0.0152 | |
| 322 | Y | A | 0.0000 | |
| 323 | W | A | 0.2481 | |
| 324 | R | A | -1.6980 | |
| 325 | G | A | 0.0000 | |
| 326 | I | A | 0.0000 | |
| 327 | H | A | -0.4593 | |
| 328 | K | A | -1.0600 | |
| 329 | L | A | 0.0000 | |
| 330 | P | A | -0.1568 | |
| 331 | E | A | -0.7612 | |
| 332 | R | A | -0.6093 | |
| 333 | W | A | 0.0000 | |
| 334 | E | A | -1.9042 | |
| 335 | K | A | -1.6723 | |
| 336 | C | A | 0.0000 | |
| 337 | V | A | 0.3580 | |
| 338 | A | A | -0.0208 | |
| 339 | S | A | -0.3907 | |
| 340 | D | A | -1.8003 | |
| 341 | G | A | 0.0000 | |
| 342 | K | A | -1.4938 | |
| 343 | Y | A | -0.0486 | |
| 344 | L | A | -0.0635 | |
| 345 | E | A | -1.7840 | |
| 1 | M | B | 1.0133 | |
| 2 | S | B | -0.0518 | |
| 3 | S | B | -0.2148 | |
| 4 | F | B | 0.3325 | |
| 5 | V | B | 1.0192 | |
| 6 | P | B | 0.0000 | |
| 7 | N | B | -1.1487 | |
| 8 | K | B | -1.9851 | |
| 9 | E | B | -0.9833 | |
| 10 | Q | B | 0.0000 | |
| 11 | T | B | 0.0000 | |
| 12 | R | B | 0.0000 | |
| 13 | T | B | 0.0000 | |
| 14 | V | B | 0.0000 | |
| 15 | L | B | 0.0000 | |
| 16 | I | B | 0.0000 | |
| 17 | F | B | 0.0000 | |
| 18 | C | B | 0.0000 | |
| 19 | F | B | 0.2628 | |
| 20 | H | B | -0.0127 | |
| 21 | L | B | -0.1336 | |
| 22 | K | B | -1.7835 | |
| 23 | K | B | -0.9606 | |
| 24 | T | B | -0.1735 | |
| 25 | A | B | 0.0004 | |
| 26 | A | B | -0.2152 | |
| 27 | E | B | -1.1828 | |
| 28 | S | B | 0.0000 | |
| 29 | H | B | -0.4674 | |
| 30 | R | B | -1.8417 | |
| 31 | M | B | -0.2214 | |
| 32 | L | B | 0.0000 | |
| 33 | V | B | 0.3914 | |
| 34 | E | B | -1.6781 | |
| 35 | A | B | 0.0000 | |
| 36 | F | B | 0.0000 | |
| 37 | G | B | -0.3604 | |
| 38 | E | B | -2.0619 | |
| 39 | Q | B | -1.4959 | |
| 40 | V | B | -0.0283 | |
| 41 | P | B | -0.0113 | |
| 42 | T | B | 0.0360 | |
| 43 | V | B | 0.2560 | |
| 44 | K | B | -1.8681 | |
| 45 | K | B | -1.7558 | |
| 46 | C | B | 0.0000 | |
| 47 | E | B | -2.0417 | |
| 48 | R | B | -2.1714 | |
| 49 | W | B | 0.0000 | |
| 50 | F | B | 0.0000 | |
| 51 | Q | B | -1.3944 | |
| 52 | R | B | -1.2471 | |
| 53 | F | B | 0.0000 | |
| 54 | K | B | -1.7406 | |
| 55 | S | B | -0.6842 | |
| 56 | G | B | -0.4702 | |
| 57 | D | B | -1.0954 | |
| 58 | F | B | 0.0000 | |
| 59 | D | B | -0.9331 | |
| 60 | V | B | -0.3272 | |
| 61 | D | B | -1.8745 | |
| 62 | D | B | -1.4989 | |
| 63 | K | B | -2.1856 | |
| 64 | E | B | -2.4280 | |
| 65 | H | B | -1.3668 | |
| 66 | G | B | -0.9226 | |
| 67 | K | B | -1.7537 | |
| 68 | P | B | -0.6813 | |
| 69 | P | B | -0.5525 | |
| 70 | K | B | -1.7393 | |
| 71 | R | B | -2.0510 | |
| 72 | Y | B | -0.6244 | |
| 73 | E | B | -2.0961 | |
| 74 | D | B | -2.1148 | |
| 75 | A | B | -0.8779 | |
| 76 | E | B | -1.6684 | |
| 77 | L | B | 0.0000 | |
| 78 | Q | B | -0.3042 | |
| 79 | A | B | -0.3575 | |
| 80 | L | B | 0.2181 | |
| 81 | L | B | 0.0000 | |
| 82 | D | B | -2.1329 | |
| 83 | E | B | -2.3089 | |
| 84 | D | B | -1.2808 | |
| 85 | D | B | -0.9738 | |
| 86 | A | B | -0.1482 | |
| 87 | Q | B | 0.0000 | |
| 88 | T | B | -0.1319 | |
| 89 | Q | B | -0.7449 | |
| 90 | K | B | -1.8435 | |
| 91 | Q | B | -1.0985 | |
| 92 | L | B | 0.0000 | |
| 93 | A | B | 0.0000 | |
| 94 | E | B | -2.2269 | |
| 95 | Q | B | -1.4752 | |
| 96 | L | B | -0.3185 | |
| 97 | E | B | -1.8829 | |
| 98 | V | B | 0.0510 | |
| 99 | S | B | -0.2827 | |
| 100 | Q | B | -1.2393 | |
| 101 | Q | B | -1.3915 | |
| 102 | A | B | -0.2264 | |
| 103 | V | B | 0.0000 | |
| 104 | S | B | -0.2466 | |
| 105 | N | B | -0.3446 | |
| 106 | R | B | 0.0000 | |
| 107 | L | B | 0.0000 | |
| 108 | R | B | -2.2146 | |
| 109 | E | B | -2.1281 | |
| 110 | M | B | -0.1152 | |
| 111 | G | B | -0.3644 | |
| 112 | K | B | -0.0985 | |
| 113 | I | B | 0.6330 | |
| 114 | Q | B | -0.6231 | |
| 115 | K | B | -0.5301 | |
| 116 | V | B | 0.4818 | |
| 117 | G | B | 0.0000 | |
| 118 | R | B | -0.9980 | |
| 119 | W | B | 0.2492 | |
| 120 | V | B | 0.0000 | |
| 121 | P | B | -0.0840 | |
| 122 | H | B | -0.6214 | |
| 123 | E | B | -1.8398 | |
| 124 | L | B | -0.3243 | |
| 125 | N | B | -1.0521 | |
| 126 | E | B | -2.3051 | |
| 127 | R | B | -2.2254 | |
| 128 | Q | B | -0.5174 | |
| 129 | M | B | -0.1405 | |
| 130 | E | B | -2.1240 | |
| 131 | R | B | -2.1930 | |
| 132 | R | B | 0.0000 | |
| 133 | K | B | -0.5538 | |
| 134 | N | B | -0.7245 | |
| 135 | T | B | 0.0000 | |
| 136 | C | B | 0.0000 | |
| 137 | E | B | -0.8813 | |
| 138 | I | B | 1.7670 | |
| 139 | L | B | 0.0000 | |
| 140 | L | B | 0.0000 | |
| 141 | S | B | -0.1343 | |
| 142 | R | B | -0.3595 | |
| 143 | Y | B | 0.0401 | |
| 144 | K | B | -1.9672 | |
| 145 | R | B | -2.4900 | |
| 146 | K | B | -2.0801 | |
| 147 | S | B | -0.4429 | |
| 148 | F | B | 0.0000 | |
| 149 | L | B | 0.0000 | |
| 150 | H | B | -0.4616 | |
| 151 | R | B | -0.3407 | |
| 152 | I | B | 0.0000 | |
| 153 | V | B | 0.0000 | |
| 154 | T | B | 0.0000 | |
| 155 | G | B | 0.0000 | |
| 156 | D | B | -0.3957 | |
| 157 | E | B | -0.5404 | |
| 158 | K | B | -0.3856 | |
| 159 | W | B | 0.2008 | |
| 160 | I | B | 0.0000 | |
| 161 | F | B | 0.6178 | |
| 162 | F | B | 0.0000 | |
| 163 | V | B | 0.5454 | |
| 164 | S | B | -0.0226 | |
| 165 | P | B | -0.2703 | |
| 166 | K | B | -1.4254 | |
| 167 | R | B | -2.0833 | |
| 168 | K | B | -1.5684 | |
| 169 | K | B | -1.4510 | |
| 170 | S | B | 0.0000 | |
| 171 | Y | B | 0.0000 | |
| 172 | V | B | 0.0000 | |
| 173 | D | B | -1.1121 | |
| 174 | P | B | -0.5411 | |
| 175 | G | B | -0.6604 | |
| 176 | Q | B | -0.9299 | |
| 177 | P | B | -0.4060 | |
| 178 | A | B | -0.0499 | |
| 179 | T | B | -0.0707 | |
| 180 | S | B | -0.3636 | |
| 181 | T | B | -0.0480 | |
| 182 | A | B | -0.3392 | |
| 183 | R | B | -1.8555 | |
| 184 | P | B | -0.6340 | |
| 185 | N | B | -1.4342 | |
| 186 | R | B | -1.6813 | |
| 187 | F | B | 1.5813 | |
| 188 | G | B | -0.1094 | |
| 189 | K | B | -1.6167 | |
| 190 | K | B | -0.6962 | |
| 191 | T | B | 0.0000 | |
| 192 | M | B | 0.0000 | |
| 193 | L | B | 0.0000 | |
| 194 | C | B | 0.0000 | |
| 195 | V | B | 0.0000 | |
| 196 | W | B | 0.0000 | |
| 197 | W | B | 0.0000 | |
| 198 | D | B | 0.0000 | |
| 199 | Q | B | -0.1791 | |
| 200 | S | B | -0.2301 | |
| 201 | G | B | 0.0000 | |
| 202 | V | B | 0.2717 | |
| 203 | I | B | 0.0000 | |
| 204 | Y | B | 0.3374 | |
| 205 | Y | B | 0.2127 | |
| 206 | E | B | -0.1365 | |
| 207 | L | B | 0.1209 | |
| 208 | L | B | 0.0000 | |
| 209 | K | B | -2.0597 | |
| 210 | R | B | -2.2620 | |
| 211 | G | B | -0.9261 | |
| 212 | E | B | -0.7412 | |
| 213 | T | B | -0.1902 | |
| 214 | V | B | 0.0000 | |
| 215 | N | B | -1.2789 | |
| 216 | T | B | -0.2650 | |
| 217 | A | B | -0.0337 | |
| 218 | R | B | -0.4454 | |
| 219 | Y | B | 0.0000 | |
| 220 | Q | B | -0.6861 | |
| 221 | Q | B | -0.7283 | |
| 222 | Q | B | 0.0000 | |
| 223 | L | B | 0.0000 | |
| 224 | I | B | 0.5151 | |
| 225 | N | B | -0.0633 | |
| 226 | L | B | 0.0000 | |
| 227 | N | B | -0.4733 | |
| 228 | R | B | -1.3970 | |
| 229 | A | B | 0.0000 | |
| 230 | L | B | 0.0000 | |
| 231 | Q | B | -1.3254 | |
| 232 | R | B | -2.3302 | |
| 233 | K | B | -1.9833 | |
| 234 | R | B | -0.5691 | |
| 235 | P | B | -0.4423 | |
| 236 | E | B | -0.8170 | |
| 237 | Y | B | -0.1961 | |
| 238 | Q | B | -1.1699 | |
| 239 | K | B | -2.1973 | |
| 240 | R | B | -2.3578 | |
| 241 | Q | B | -1.5612 | |
| 242 | H | B | -0.5696 | |
| 243 | R | B | -0.7872 | |
| 244 | V | B | 0.0000 | |
| 245 | I | B | 0.0000 | |
| 246 | F | B | 0.0000 | |
| 247 | L | B | 0.0000 | |
| 248 | H | B | 0.0000 | |
| 249 | D | B | -0.5201 | |
| 250 | N | B | -0.6984 | |
| 251 | A | B | -0.1539 | |
| 252 | P | B | -0.2572 | |
| 253 | S | B | -0.0773 | |
| 254 | H | B | 0.0000 | |
| 255 | T | B | -0.0263 | |
| 256 | A | B | -0.3458 | |
| 257 | R | B | -2.0136 | |
| 258 | A | B | -0.3104 | |
| 259 | V | B | 0.0000 | |
| 260 | R | B | -2.1200 | |
| 261 | D | B | -1.2037 | |
| 262 | T | B | 0.0000 | |
| 263 | L | B | 0.0000 | |
| 264 | E | B | -1.9712 | |
| 265 | T | B | -0.3727 | |
| 266 | L | B | -0.0235 | |
| 267 | N | B | -1.4272 | |
| 268 | W | B | 0.0000 | |
| 269 | E | B | -0.2723 | |
| 270 | V | B | 0.7130 | |
| 271 | L | B | 0.0000 | |
| 272 | P | B | -0.1251 | |
| 273 | H | B | -0.1166 | |
| 274 | A | B | 0.0000 | |
| 275 | A | B | 0.2590 | |
| 276 | Y | B | 1.3191 | |
| 277 | S | B | 0.0000 | |
| 278 | P | B | -0.0551 | |
| 279 | D | B | 0.0000 | |
| 280 | L | B | 0.0000 | |
| 281 | A | B | 0.0003 | |
| 282 | P | B | 0.0000 | |
| 283 | S | B | 0.0000 | |
| 284 | D | B | -0.6859 | |
| 285 | Y | B | 0.0069 | |
| 286 | H | B | -0.1137 | |
| 287 | L | B | 0.0000 | |
| 288 | F | B | 0.0000 | |
| 289 | A | B | 0.0249 | |
| 290 | S | B | -0.0519 | |
| 291 | M | B | 0.0000 | |
| 292 | G | B | -0.3558 | |
| 293 | H | B | -1.0195 | |
| 294 | A | B | -0.1528 | |
| 295 | L | B | 0.1550 | |
| 296 | A | B | -0.2914 | |
| 297 | E | B | -1.8901 | |
| 298 | Q | B | -1.0805 | |
| 299 | R | B | -1.9141 | |
| 300 | F | B | 0.0000 | |
| 301 | D | B | -1.8059 | |
| 302 | S | B | -0.2804 | |
| 303 | Y | B | 0.4345 | |
| 304 | E | B | -1.7373 | |
| 305 | S | B | -0.4065 | |
| 306 | V | B | 0.0000 | |
| 307 | K | B | -1.0901 | |
| 308 | K | B | -1.7808 | |
| 309 | W | B | -0.1735 | |
| 310 | L | B | 0.0000 | |
| 311 | D | B | -1.2883 | |
| 312 | E | B | -2.0005 | |
| 313 | W | B | 0.0000 | |
| 314 | F | B | 0.0000 | |
| 315 | A | B | 0.0696 | |
| 316 | A | B | -0.0390 | |
| 317 | K | B | -0.9023 | |
| 318 | D | B | -2.2269 | |
| 319 | D | B | -2.3826 | |
| 320 | E | B | -1.5751 | |
| 321 | F | B | -0.0125 | |
| 322 | Y | B | 0.0000 | |
| 323 | W | B | 0.2917 | |
| 324 | R | B | -1.3755 | |
| 325 | G | B | 0.0000 | |
| 326 | I | B | 0.0000 | |
| 327 | H | B | -0.4319 | |
| 328 | K | B | -0.9314 | |
| 329 | L | B | 0.0000 | |
| 330 | P | B | -0.1651 | |
| 331 | E | B | -0.8020 | |
| 332 | R | B | -0.6106 | |
| 333 | W | B | 0.0000 | |
| 334 | E | B | -1.8706 | |
| 335 | K | B | -1.5815 | |
| 336 | C | B | 0.0000 | |
| 337 | V | B | 0.2877 | |
| 338 | A | B | -0.0257 | |
| 339 | S | B | -0.4011 | |
| 340 | D | B | -1.8022 | |
| 341 | G | B | 0.0000 | |
| 342 | K | B | -1.5042 | |
| 343 | Y | B | -0.1026 | |
| 344 | L | B | 0.0000 | |
| 345 | E | B | -1.8199 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.6323 | 3.4439 | View | CSV | PDB |
| 4.5 | -0.6693 | 3.4439 | View | CSV | PDB |
| 5.0 | -0.7162 | 3.4439 | View | CSV | PDB |
| 5.5 | -0.7642 | 3.4439 | View | CSV | PDB |
| 6.0 | -0.8032 | 3.4439 | View | CSV | PDB |
| 6.5 | -0.8249 | 3.4439 | View | CSV | PDB |
| 7.0 | -0.8275 | 3.4439 | View | CSV | PDB |
| 7.5 | -0.8157 | 3.4439 | View | CSV | PDB |
| 8.0 | -0.7954 | 3.4439 | View | CSV | PDB |
| 8.5 | -0.7696 | 3.4439 | View | CSV | PDB |
| 9.0 | -0.7387 | 3.4439 | 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