| Chain sequence(s) |
A: MKIGCHGLVWTGHFDAEGIRYSVQKTREAGFDLVEFPLMDPFSFDVQTAKSALAEHGLAASASLGLSDATDVSSEDPAVVKAGEELLNRAVDVLAELGATDFCGVIYSAMKKYMEPATAAGLANSKAAVGRVADRASDLGINVSLEVVNRYETNVLNTGRQALAYLEELNRPNLGIHLDTYHMNIEESDMFSPILDTAEALRYVHIGESHRGYLGTGSVDFDTFFKALGRIGYDGPVVFESFSSSVVAPDLSRMLGIWRNLWADNEELGAHANAFIRDKLTAIKTIELHLEHHHHHH
B: MKIGCHGLVWTGHFDAEGIRYSVQKTREAGFDLVEFPLMDPFSFDVQTAKSALAEHGLAASASLGLSDATDVSSEDPAVVKAGEELLNRAVDVLAELGATDFCGVIYSAMKKYMEPATAAGLANSKAAVGRVADRASDLGINVSLEVVNRYETNVLNTGRQALAYLEELNRPNLGIHLDTYHMNIEESDMFSPILDTAEALRYVHIGESHRGYLGTGSVDFDTFFKALGRIGYDGPVVFESFSSSVVAPDLSRMLGIWRNLWADNEELGAHANAFIRDKLTAIKTIELHLEHHHHHH 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 (00:06:45)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/320c5bd22db18c9/tmp/folded.pdb (00:06:45)
[INFO] Main: Simulation completed successfully. (00:09:29)
|
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 | -0.9290 | |
| 2 | K | A | -1.4508 | |
| 3 | I | A | 0.0000 | |
| 4 | G | A | 0.0000 | |
| 5 | C | A | 0.0000 | |
| 6 | H | A | 0.0000 | |
| 7 | G | A | 0.0000 | |
| 8 | L | A | 0.0000 | |
| 9 | V | A | 0.0000 | |
| 10 | W | A | 0.0000 | |
| 11 | T | A | -0.4401 | |
| 12 | G | A | -0.6793 | |
| 13 | H | A | -1.3738 | |
| 14 | F | A | -1.4372 | |
| 15 | D | A | -1.9056 | |
| 16 | A | A | -1.9892 | |
| 17 | E | A | -2.6482 | |
| 18 | G | A | 0.0000 | |
| 19 | I | A | 0.0000 | |
| 20 | R | A | -2.7575 | |
| 21 | Y | A | -1.2737 | |
| 22 | S | A | 0.0000 | |
| 23 | V | A | 0.0000 | |
| 24 | Q | A | -2.3765 | |
| 25 | K | A | -2.2175 | |
| 26 | T | A | 0.0000 | |
| 27 | R | A | -3.3378 | |
| 28 | E | A | -3.3147 | |
| 29 | A | A | -2.3955 | |
| 30 | G | A | -1.6958 | |
| 31 | F | A | 0.0000 | |
| 32 | D | A | -1.7491 | |
| 33 | L | A | 0.0000 | |
| 34 | V | A | 0.0000 | |
| 35 | E | A | 0.0000 | |
| 36 | F | A | 0.0000 | |
| 37 | P | A | 0.0000 | |
| 38 | L | A | 0.0000 | |
| 39 | M | A | -0.0740 | |
| 40 | D | A | -0.9085 | |
| 41 | P | A | 0.0000 | |
| 42 | F | A | 1.1334 | |
| 43 | S | A | 0.1887 | |
| 44 | F | A | -0.1605 | |
| 45 | D | A | -0.8038 | |
| 46 | V | A | -0.9848 | |
| 47 | Q | A | -1.7696 | |
| 48 | T | A | -1.7127 | |
| 49 | A | A | 0.0000 | |
| 50 | K | A | -2.0332 | |
| 51 | S | A | -1.5625 | |
| 52 | A | A | 0.0000 | |
| 53 | L | A | 0.0000 | |
| 54 | A | A | -1.2952 | |
| 55 | E | A | -2.4315 | |
| 56 | H | A | -2.4066 | |
| 57 | G | A | -1.5449 | |
| 58 | L | A | 0.0000 | |
| 59 | A | A | -0.8009 | |
| 60 | A | A | 0.0000 | |
| 61 | S | A | 0.0000 | |
| 62 | A | A | 0.0000 | |
| 63 | S | A | 0.0000 | |
| 64 | L | A | 0.0000 | |
| 65 | G | A | -0.0579 | |
| 66 | L | A | 0.0000 | |
| 67 | S | A | -1.0095 | |
| 68 | D | A | -1.8834 | |
| 69 | A | A | -1.0448 | |
| 70 | T | A | -0.9968 | |
| 71 | D | A | 0.0000 | |
| 72 | V | A | 0.0000 | |
| 73 | S | A | -0.8214 | |
| 74 | S | A | -1.7074 | |
| 75 | E | A | -2.3652 | |
| 76 | D | A | -2.2342 | |
| 77 | P | A | -1.6522 | |
| 78 | A | A | -1.0921 | |
| 79 | V | A | -1.4319 | |
| 80 | V | A | 0.0000 | |
| 81 | K | A | -2.2341 | |
| 82 | A | A | -1.2550 | |
| 83 | G | A | 0.0000 | |
| 84 | E | A | 0.0000 | |
| 85 | E | A | -2.3225 | |
| 86 | L | A | -1.2296 | |
| 87 | L | A | 0.0000 | |
| 88 | N | A | -1.7450 | |
| 89 | R | A | -1.3860 | |
| 90 | A | A | 0.0000 | |
| 91 | V | A | 0.0000 | |
| 92 | D | A | -1.0382 | |
| 93 | V | A | 0.0000 | |
| 94 | L | A | 0.0000 | |
| 95 | A | A | -1.3237 | |
| 96 | E | A | -2.1198 | |
| 97 | L | A | -1.3650 | |
| 98 | G | A | -1.1252 | |
| 99 | A | A | 0.0000 | |
| 100 | T | A | -0.3855 | |
| 101 | D | A | -0.5685 | |
| 102 | F | A | 0.0000 | |
| 103 | C | A | 0.0000 | |
| 104 | G | A | 0.0000 | |
| 105 | V | A | 0.0000 | |
| 106 | I | A | 0.0000 | |
| 107 | Y | A | 0.0000 | |
| 108 | S | A | 0.0000 | |
| 109 | A | A | 0.0000 | |
| 110 | M | A | -0.6099 | |
| 111 | K | A | -1.0579 | |
| 112 | K | A | -0.5564 | |
| 113 | Y | A | 0.0000 | |
| 114 | M | A | -0.0966 | |
| 115 | E | A | -1.0531 | |
| 116 | P | A | -0.6301 | |
| 117 | A | A | -0.1031 | |
| 118 | T | A | -0.3865 | |
| 119 | A | A | -0.0598 | |
| 120 | A | A | -0.3359 | |
| 121 | G | A | 0.0000 | |
| 122 | L | A | 0.0124 | |
| 123 | A | A | -0.2169 | |
| 124 | N | A | -1.0030 | |
| 125 | S | A | 0.0000 | |
| 126 | K | A | -0.7762 | |
| 127 | A | A | -0.5595 | |
| 128 | A | A | 0.0000 | |
| 129 | V | A | 0.0000 | |
| 130 | G | A | 0.0000 | |
| 131 | R | A | -2.4062 | |
| 132 | V | A | 0.0000 | |
| 133 | A | A | 0.0000 | |
| 134 | D | A | -2.8729 | |
| 135 | R | A | -2.6853 | |
| 136 | A | A | 0.0000 | |
| 137 | S | A | -2.1468 | |
| 138 | D | A | -2.3372 | |
| 139 | L | A | -1.2874 | |
| 140 | G | A | -1.2103 | |
| 141 | I | A | 0.0000 | |
| 142 | N | A | -0.7291 | |
| 143 | V | A | 0.0000 | |
| 144 | S | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | E | A | 0.0000 | |
| 147 | V | A | 0.0000 | |
| 148 | V | A | 0.0000 | |
| 149 | N | A | 0.0000 | |
| 150 | R | A | 0.0000 | |
| 151 | Y | A | 0.0000 | |
| 152 | E | A | 0.0000 | |
| 153 | T | A | 0.0000 | |
| 154 | N | A | 0.0000 | |
| 155 | V | A | 0.0000 | |
| 156 | L | A | 0.0000 | |
| 157 | N | A | 0.0000 | |
| 158 | T | A | 0.0000 | |
| 159 | G | A | 0.0000 | |
| 160 | R | A | -2.3505 | |
| 161 | Q | A | -1.2342 | |
| 162 | A | A | 0.0000 | |
| 163 | L | A | -1.7692 | |
| 164 | A | A | -1.5209 | |
| 165 | Y | A | 0.0000 | |
| 166 | L | A | 0.0000 | |
| 167 | E | A | -3.1643 | |
| 168 | E | A | -3.1734 | |
| 169 | L | A | 0.0000 | |
| 170 | N | A | -2.8087 | |
| 171 | R | A | -2.3216 | |
| 172 | P | A | -1.1392 | |
| 173 | N | A | -1.1353 | |
| 174 | L | A | 0.0000 | |
| 175 | G | A | 0.0000 | |
| 176 | I | A | 0.0000 | |
| 177 | H | A | 0.0000 | |
| 178 | L | A | 0.0000 | |
| 179 | D | A | 0.0000 | |
| 180 | T | A | 0.0000 | |
| 181 | Y | A | 0.0000 | |
| 182 | H | A | 0.0000 | |
| 183 | M | A | 0.0000 | |
| 184 | N | A | 0.0000 | |
| 185 | I | A | 0.0000 | |
| 186 | E | A | 0.0000 | |
| 187 | E | A | -0.7130 | |
| 188 | S | A | -0.6964 | |
| 189 | D | A | -1.1113 | |
| 190 | M | A | 0.0000 | |
| 191 | F | A | -0.4825 | |
| 192 | S | A | -0.5696 | |
| 193 | P | A | 0.0000 | |
| 194 | I | A | 0.0000 | |
| 195 | L | A | -0.4985 | |
| 196 | D | A | -1.9231 | |
| 197 | T | A | 0.0000 | |
| 198 | A | A | -1.3532 | |
| 199 | E | A | -1.9745 | |
| 200 | A | A | -1.4321 | |
| 201 | L | A | 0.0000 | |
| 202 | R | A | -1.2114 | |
| 203 | Y | A | 0.0000 | |
| 204 | V | A | 0.0000 | |
| 205 | H | A | 0.0000 | |
| 206 | I | A | 0.0000 | |
| 207 | G | A | 0.0000 | |
| 208 | E | A | 0.0000 | |
| 209 | S | A | 0.0000 | |
| 210 | H | A | 0.0000 | |
| 211 | R | A | 0.0000 | |
| 212 | G | A | 0.0000 | |
| 213 | Y | A | 0.0782 | |
| 214 | L | A | -0.0488 | |
| 215 | G | A | -0.5754 | |
| 216 | T | A | -0.4219 | |
| 217 | G | A | -0.6893 | |
| 218 | S | A | -0.9773 | |
| 219 | V | A | 0.0000 | |
| 220 | D | A | -1.8024 | |
| 221 | F | A | 0.0000 | |
| 222 | D | A | -2.0355 | |
| 223 | T | A | -1.4073 | |
| 224 | F | A | 0.0000 | |
| 225 | F | A | 0.0000 | |
| 226 | K | A | -1.9221 | |
| 227 | A | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | G | A | -2.1255 | |
| 230 | R | A | -1.9178 | |
| 231 | I | A | -1.2302 | |
| 232 | G | A | -1.4358 | |
| 233 | Y | A | 0.0000 | |
| 234 | D | A | -1.9918 | |
| 235 | G | A | -1.2690 | |
| 236 | P | A | 0.0000 | |
| 237 | V | A | 0.0000 | |
| 238 | V | A | 0.0000 | |
| 239 | F | A | 0.0000 | |
| 240 | E | A | 0.0000 | |
| 241 | S | A | 0.0000 | |
| 242 | F | A | 0.0000 | |
| 243 | S | A | 0.0000 | |
| 244 | S | A | -0.7870 | |
| 245 | S | A | -0.4669 | |
| 246 | V | A | -0.2994 | |
| 247 | V | A | 0.0000 | |
| 248 | A | A | -0.9961 | |
| 249 | P | A | -1.5394 | |
| 250 | D | A | -2.2720 | |
| 251 | L | A | 0.0000 | |
| 252 | S | A | -1.1770 | |
| 253 | R | A | -1.7804 | |
| 254 | M | A | -1.0070 | |
| 255 | L | A | 0.0000 | |
| 256 | G | A | 0.0000 | |
| 257 | I | A | 0.0000 | |
| 258 | W | A | -0.6688 | |
| 259 | R | A | -0.8802 | |
| 260 | N | A | -1.2684 | |
| 261 | L | A | -0.4809 | |
| 262 | W | A | 0.0000 | |
| 263 | A | A | -1.3701 | |
| 264 | D | A | -2.5304 | |
| 265 | N | A | -2.1176 | |
| 266 | E | A | -2.9934 | |
| 267 | E | A | -2.4127 | |
| 268 | L | A | 0.0000 | |
| 269 | G | A | 0.0000 | |
| 270 | A | A | -1.4309 | |
| 271 | H | A | -1.2435 | |
| 272 | A | A | 0.0000 | |
| 273 | N | A | -0.8318 | |
| 274 | A | A | -0.9461 | |
| 275 | F | A | -0.8168 | |
| 276 | I | A | 0.0000 | |
| 277 | R | A | -1.6359 | |
| 278 | D | A | -2.3197 | |
| 279 | K | A | -1.9233 | |
| 280 | L | A | -1.5138 | |
| 281 | T | A | -1.3995 | |
| 282 | A | A | -1.5351 | |
| 283 | I | A | 0.0000 | |
| 284 | K | A | -2.1883 | |
| 285 | T | A | -0.6281 | |
| 286 | I | A | -0.9638 | |
| 287 | E | A | -1.8192 | |
| 288 | L | A | -0.6032 | |
| 289 | H | A | -1.3832 | |
| 290 | L | A | -1.0637 | |
| 291 | E | A | -2.9523 | |
| 292 | H | A | -3.0533 | |
| 293 | H | A | -3.2394 | |
| 294 | H | A | -3.1691 | |
| 295 | H | A | -3.1882 | |
| 296 | H | A | -3.0061 | |
| 297 | H | A | -2.7968 | |
| 1 | M | B | -0.8768 | |
| 2 | K | B | -1.3720 | |
| 3 | I | B | 0.0000 | |
| 4 | G | B | 0.0000 | |
| 5 | C | B | 0.0000 | |
| 6 | H | B | 0.0000 | |
| 7 | G | B | 0.0000 | |
| 8 | L | B | 0.0000 | |
| 9 | V | B | 0.0000 | |
| 10 | W | B | 0.0000 | |
| 11 | T | B | -0.3924 | |
| 12 | G | B | -0.6918 | |
| 13 | H | B | -1.5881 | |
| 14 | F | B | -1.9045 | |
| 15 | D | B | -2.8250 | |
| 16 | A | B | -2.4409 | |
| 17 | E | B | -2.9421 | |
| 18 | G | B | 0.0000 | |
| 19 | I | B | 0.0000 | |
| 20 | R | B | -2.9152 | |
| 21 | Y | B | -1.3901 | |
| 22 | S | B | 0.0000 | |
| 23 | V | B | 0.0000 | |
| 24 | Q | B | -2.0962 | |
| 25 | K | B | -1.9507 | |
| 26 | T | B | 0.0000 | |
| 27 | R | B | -2.4577 | |
| 28 | E | B | -2.8756 | |
| 29 | A | B | -2.1311 | |
| 30 | G | B | -1.3074 | |
| 31 | F | B | 0.0000 | |
| 32 | D | B | -1.3629 | |
| 33 | L | B | 0.0000 | |
| 34 | V | B | 0.0000 | |
| 35 | E | B | 0.0000 | |
| 36 | F | B | 0.0000 | |
| 37 | P | B | -0.1978 | |
| 38 | L | B | 0.0000 | |
| 39 | M | B | -0.1129 | |
| 40 | D | B | -1.0025 | |
| 41 | P | B | 0.0000 | |
| 42 | F | B | 1.0944 | |
| 43 | S | B | 0.0236 | |
| 44 | F | B | -0.3644 | |
| 45 | D | B | -1.0275 | |
| 46 | V | B | -1.0371 | |
| 47 | Q | B | -1.8315 | |
| 48 | T | B | -1.8916 | |
| 49 | A | B | 0.0000 | |
| 50 | K | B | -2.1711 | |
| 51 | S | B | -1.6821 | |
| 52 | A | B | 0.0000 | |
| 53 | L | B | 0.0000 | |
| 54 | A | B | -1.3450 | |
| 55 | E | B | -2.4596 | |
| 56 | H | B | -2.1911 | |
| 57 | G | B | -1.3875 | |
| 58 | L | B | 0.0000 | |
| 59 | A | B | -0.6725 | |
| 60 | A | B | -0.3779 | |
| 61 | S | B | 0.0000 | |
| 62 | A | B | 0.0000 | |
| 63 | S | B | 0.0000 | |
| 64 | L | B | 0.0000 | |
| 65 | G | B | -0.1080 | |
| 66 | L | B | 0.0000 | |
| 67 | S | B | -1.0379 | |
| 68 | D | B | -1.8983 | |
| 69 | A | B | -1.0501 | |
| 70 | T | B | -1.0294 | |
| 71 | D | B | 0.0000 | |
| 72 | V | B | 0.0000 | |
| 73 | S | B | -0.8631 | |
| 74 | S | B | -1.7377 | |
| 75 | E | B | -2.4043 | |
| 76 | D | B | -2.2785 | |
| 77 | P | B | -1.6691 | |
| 78 | A | B | -1.1027 | |
| 79 | V | B | -1.4582 | |
| 80 | V | B | 0.0000 | |
| 81 | K | B | -2.2866 | |
| 82 | A | B | -1.3211 | |
| 83 | G | B | 0.0000 | |
| 84 | E | B | 0.0000 | |
| 85 | E | B | -2.5220 | |
| 86 | L | B | -1.3485 | |
| 87 | L | B | 0.0000 | |
| 88 | N | B | -1.8250 | |
| 89 | R | B | -1.4951 | |
| 90 | A | B | 0.0000 | |
| 91 | V | B | 0.0000 | |
| 92 | D | B | -1.0824 | |
| 93 | V | B | 0.0000 | |
| 94 | L | B | 0.0000 | |
| 95 | A | B | -1.3450 | |
| 96 | E | B | -2.1497 | |
| 97 | L | B | -1.4039 | |
| 98 | G | B | -1.1461 | |
| 99 | A | B | 0.0000 | |
| 100 | T | B | -0.3823 | |
| 101 | D | B | -0.5575 | |
| 102 | F | B | 0.0000 | |
| 103 | C | B | 0.0000 | |
| 104 | G | B | 0.0000 | |
| 105 | V | B | 0.0000 | |
| 106 | I | B | 0.0000 | |
| 107 | Y | B | 0.0000 | |
| 108 | S | B | 0.0000 | |
| 109 | A | B | 0.0000 | |
| 110 | M | B | 0.0000 | |
| 111 | K | B | -1.0165 | |
| 112 | K | B | -0.7472 | |
| 113 | Y | B | -0.6537 | |
| 114 | M | B | -1.0068 | |
| 115 | E | B | -2.0878 | |
| 116 | P | B | -1.1400 | |
| 117 | A | B | -0.3957 | |
| 118 | T | B | -0.5535 | |
| 119 | A | B | -0.1151 | |
| 120 | A | B | -0.3827 | |
| 121 | G | B | 0.0000 | |
| 122 | L | B | -0.1232 | |
| 123 | A | B | -0.2786 | |
| 124 | N | B | -1.0474 | |
| 125 | S | B | 0.0000 | |
| 126 | K | B | -0.7919 | |
| 127 | A | B | -0.5641 | |
| 128 | A | B | 0.0000 | |
| 129 | V | B | 0.0000 | |
| 130 | G | B | 0.0000 | |
| 131 | R | B | -2.3664 | |
| 132 | V | B | 0.0000 | |
| 133 | A | B | 0.0000 | |
| 134 | D | B | -2.7825 | |
| 135 | R | B | -2.6299 | |
| 136 | A | B | 0.0000 | |
| 137 | S | B | -2.1317 | |
| 138 | D | B | -2.3315 | |
| 139 | L | B | -1.3035 | |
| 140 | G | B | -1.0949 | |
| 141 | I | B | 0.0000 | |
| 142 | N | B | -0.7074 | |
| 143 | V | B | 0.0000 | |
| 144 | S | B | 0.0000 | |
| 145 | L | B | 0.0000 | |
| 146 | E | B | 0.0000 | |
| 147 | V | B | 0.0000 | |
| 148 | V | B | 0.0000 | |
| 149 | N | B | 0.0000 | |
| 150 | R | B | 0.0000 | |
| 151 | Y | B | 0.0000 | |
| 152 | E | B | 0.0000 | |
| 153 | T | B | 0.0000 | |
| 154 | N | B | 0.0000 | |
| 155 | V | B | 0.0000 | |
| 156 | L | B | 0.0000 | |
| 157 | N | B | 0.0000 | |
| 158 | T | B | 0.0000 | |
| 159 | G | B | 0.0000 | |
| 160 | R | B | -2.3368 | |
| 161 | Q | B | -1.1734 | |
| 162 | A | B | 0.0000 | |
| 163 | L | B | -1.7717 | |
| 164 | A | B | -1.5179 | |
| 165 | Y | B | 0.0000 | |
| 166 | L | B | 0.0000 | |
| 167 | E | B | -3.1743 | |
| 168 | E | B | -3.1746 | |
| 169 | L | B | 0.0000 | |
| 170 | N | B | -2.8155 | |
| 171 | R | B | -2.3177 | |
| 172 | P | B | -1.1366 | |
| 173 | N | B | -1.1253 | |
| 174 | L | B | 0.0000 | |
| 175 | G | B | 0.0000 | |
| 176 | I | B | 0.0000 | |
| 177 | H | B | 0.0000 | |
| 178 | L | B | 0.0000 | |
| 179 | D | B | 0.0000 | |
| 180 | T | B | 0.0000 | |
| 181 | Y | B | 0.0000 | |
| 182 | H | B | 0.0000 | |
| 183 | M | B | 0.0000 | |
| 184 | N | B | 0.0000 | |
| 185 | I | B | 0.0000 | |
| 186 | E | B | 0.0000 | |
| 187 | E | B | -0.7139 | |
| 188 | S | B | -0.6919 | |
| 189 | D | B | -1.0617 | |
| 190 | M | B | 0.0000 | |
| 191 | F | B | -0.4668 | |
| 192 | S | B | -0.5920 | |
| 193 | P | B | 0.0000 | |
| 194 | I | B | 0.0000 | |
| 195 | L | B | -0.5657 | |
| 196 | D | B | -2.0055 | |
| 197 | T | B | 0.0000 | |
| 198 | A | B | -1.3766 | |
| 199 | E | B | -1.9875 | |
| 200 | A | B | -1.4362 | |
| 201 | L | B | 0.0000 | |
| 202 | R | B | -1.1831 | |
| 203 | Y | B | 0.0000 | |
| 204 | V | B | 0.0000 | |
| 205 | H | B | 0.0000 | |
| 206 | I | B | 0.0000 | |
| 207 | G | B | 0.0000 | |
| 208 | E | B | 0.0000 | |
| 209 | S | B | 0.0000 | |
| 210 | H | B | 0.0000 | |
| 211 | R | B | 0.0000 | |
| 212 | G | B | 0.0000 | |
| 213 | Y | B | -0.0607 | |
| 214 | L | B | 0.0000 | |
| 215 | G | B | -0.6206 | |
| 216 | T | B | -0.4805 | |
| 217 | G | B | -0.7286 | |
| 218 | S | B | -1.0030 | |
| 219 | V | B | 0.0000 | |
| 220 | D | B | -1.7525 | |
| 221 | F | B | 0.0000 | |
| 222 | D | B | -1.9414 | |
| 223 | T | B | -1.3573 | |
| 224 | F | B | 0.0000 | |
| 225 | F | B | 0.0000 | |
| 226 | K | B | -1.8166 | |
| 227 | A | B | 0.0000 | |
| 228 | L | B | 0.0000 | |
| 229 | G | B | -2.0754 | |
| 230 | R | B | -1.8920 | |
| 231 | I | B | -1.2374 | |
| 232 | G | B | -1.4414 | |
| 233 | Y | B | 0.0000 | |
| 234 | D | B | -1.9813 | |
| 235 | G | B | -1.2514 | |
| 236 | P | B | 0.0000 | |
| 237 | V | B | 0.0000 | |
| 238 | V | B | 0.0000 | |
| 239 | F | B | 0.0000 | |
| 240 | E | B | 0.0000 | |
| 241 | S | B | 0.0000 | |
| 242 | F | B | 0.0000 | |
| 243 | S | B | 0.0000 | |
| 244 | S | B | -0.8001 | |
| 245 | S | B | -0.4501 | |
| 246 | V | B | -0.2520 | |
| 247 | V | B | 0.0000 | |
| 248 | A | B | -0.9892 | |
| 249 | P | B | -1.4576 | |
| 250 | D | B | -2.1120 | |
| 251 | L | B | 0.0000 | |
| 252 | S | B | -1.0214 | |
| 253 | R | B | -1.3783 | |
| 254 | M | B | -0.7393 | |
| 255 | L | B | 0.0000 | |
| 256 | G | B | 0.0000 | |
| 257 | I | B | 0.0000 | |
| 258 | W | B | -0.6215 | |
| 259 | R | B | -0.8877 | |
| 260 | N | B | -1.2977 | |
| 261 | L | B | -0.5464 | |
| 262 | W | B | 0.0000 | |
| 263 | A | B | -1.4724 | |
| 264 | D | B | -2.7555 | |
| 265 | N | B | -2.3264 | |
| 266 | E | B | -3.3557 | |
| 267 | E | B | -3.1512 | |
| 268 | L | B | 0.0000 | |
| 269 | G | B | 0.0000 | |
| 270 | A | B | -1.5044 | |
| 271 | H | B | -1.0791 | |
| 272 | A | B | 0.0000 | |
| 273 | N | B | -0.6903 | |
| 274 | A | B | -0.8176 | |
| 275 | F | B | -0.8105 | |
| 276 | I | B | 0.0000 | |
| 277 | R | B | -1.5776 | |
| 278 | D | B | -2.3127 | |
| 279 | K | B | -1.8719 | |
| 280 | L | B | -1.4422 | |
| 281 | T | B | -1.3094 | |
| 282 | A | B | -1.3869 | |
| 283 | I | B | -1.6272 | |
| 284 | K | B | -2.0987 | |
| 285 | T | B | -0.5937 | |
| 286 | I | B | -0.7157 | |
| 287 | E | B | -1.6827 | |
| 288 | L | B | -0.7598 | |
| 289 | H | B | -1.3211 | |
| 290 | L | B | -0.7689 | |
| 291 | E | B | -2.7953 | |
| 292 | H | B | -2.8684 | |
| 293 | H | B | -2.9023 | |
| 294 | H | B | -3.0667 | |
| 295 | H | B | -3.0410 | |
| 296 | H | B | -3.0176 | |
| 297 | H | B | -2.6746 |
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 | -0.6147 | 3.3661 | View | CSV | PDB |
| 4.5 | -0.6975 | 3.2258 | View | CSV | PDB |
| 5.0 | -0.7958 | 3.0746 | View | CSV | PDB |
| 5.5 | -0.8931 | 2.9196 | View | CSV | PDB |
| 6.0 | -0.975 | 2.7634 | View | CSV | PDB |
| 6.5 | -1.0355 | 2.6073 | View | CSV | PDB |
| 7.0 | -1.0778 | 2.4527 | View | CSV | PDB |
| 7.5 | -1.1087 | 2.3026 | View | CSV | PDB |
| 8.0 | -1.1317 | 2.1649 | View | CSV | PDB |
| 8.5 | -1.145 | 2.0543 | View | CSV | PDB |
| 9.0 | -1.1455 | 1.9844 | 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