| Chain sequence(s) |
A: RVMYYGKGDVFAYRTYLKPLTGVRTIPESPFSGRDHILFGVNVKISVGGTKLLTSFTKGDNSLVVATDSMKNFIQKHLASYTGTTIEGFLEYVATSFLKKYSHIEKISLIGEEIPFETTFAVKNGNRAASELVFKKSRNEYATAYLNMVRNEDNTLNITEQQSGLAGLQLIKVSGNSFVGFIRDEYTTLPEDSNRPLFVYLNIKWKYKNTEDSFGTNPENYVAAEQIRDIATSVFHETETLSIQHLIYLIGRRILERFPQLQEVYFESQNHTWDKIVEEIPESEGKVYTEPRPPYGFQCFTVTQED
C: RVMYYGKGDVFAYRTYLKPLTGVRTIPESPFSGRDHILFGVNVKISVGGTKLLTSFTKGDNSLVVATDSMKNFIQKHLASYTGTTIEGFLEYVATSFLKKYSHIEKISLIGEEIPFETTFAVKNGNRAASELVFKKSRNEYATAYLNMVRNEDNTLNITEQQSGLAGLQLIKVSGNSFVGFIRDEYTTLPEDSNRPLFVYLNIKWKYKNTEDSFGTNPENYVAAEQIRDIATSVFHETETLSIQHLIYLIGRRILERFPQLQEVYFESQNHTWDKIVEEIPESEGKVYTEPRPPYGFQCFTVTQED B: RVMYYGKGDVFAYRTYLKPLTGVRTIPESPFSGRDHILFGVNVKISVGGTKLLTSFTKGDNSLVVATDSMKNFIQKHLASYTGTTIEGFLEYVATSFLKKYSHIEKISLIGEEIPFETTFAVKNGNRAASELVFKKSRNEYATAYLNMVRNEDNTLNITEQQSGLAGLQLIKVSGNSFVGFIRDEYTTLPEDSNRPLFVYLNIKWKYKNTEDSFGTNPENYVAAEQIRDIATSVFHETETLSIQHLIYLIGRRILERFPQLQEVYFESQNHTWDKIVEEIPESEGKVYTEPRPPYGFQCFTVTQED D: RVMYYGKGDVFAYRTYLKPLTGVRTIPESPFSGRDHILFGVNVKISVGGTKLLTSFTKGDNSLVVATDSMKNFIQKHLASYTGTTIEGFLEYVATSFLKKYSHIEKISLIGEEIPFETTFAVKNGNRAASELVFKKSRNEYATAYLNMVRNEDNTLNITEQQSGLAGLQLIKVSGNSFVGFIRDEYTTLPEDSNRPLFVYLNIKWKYKNTEDSFGTNPENYVAAEQIRDIATSVFHETETLSIQHLIYLIGRRILERFPQLQEVYFESQNHTWDKIVEEIPESEGKVYTEPRPPYGFQCFTVTQED input PDB |
| Selected Chain(s) | A,B,C,D |
| 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. (00:00:06)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:27:11)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/dbe930d9566dedc/tmp/folded.pdb (00:27:11)
[INFO] Main: Simulation completed successfully. (00:41:35)
|
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 |
|---|---|---|---|---|
| 7 | R | A | -1.3601 | |
| 8 | V | A | 0.1582 | |
| 9 | M | A | 0.0000 | |
| 10 | Y | A | 0.2336 | |
| 11 | Y | A | 0.0000 | |
| 12 | G | A | 0.0000 | |
| 13 | K | A | 0.0000 | |
| 14 | G | A | 0.0000 | |
| 15 | D | A | -0.8971 | |
| 16 | V | A | 0.0000 | |
| 17 | F | A | -0.3096 | |
| 18 | A | A | 0.0000 | |
| 19 | Y | A | 0.0000 | |
| 20 | R | A | 0.0000 | |
| 21 | T | A | 0.0000 | |
| 22 | Y | A | -0.7631 | |
| 23 | L | A | 0.0000 | |
| 24 | K | A | -2.0244 | |
| 25 | P | A | -1.6820 | |
| 26 | L | A | 0.0000 | |
| 27 | T | A | -1.4892 | |
| 28 | G | A | -1.6463 | |
| 29 | V | A | 0.0000 | |
| 30 | R | A | -2.4576 | |
| 31 | T | A | -1.1917 | |
| 32 | I | A | -0.5765 | |
| 33 | P | A | -0.6677 | |
| 34 | E | A | 0.0000 | |
| 35 | S | A | 0.0000 | |
| 36 | P | A | -0.4138 | |
| 37 | F | A | -0.5083 | |
| 38 | S | A | -1.1788 | |
| 39 | G | A | -1.2588 | |
| 40 | R | A | -1.5349 | |
| 41 | D | A | -2.3375 | |
| 42 | H | A | 0.0000 | |
| 43 | I | A | -0.5365 | |
| 44 | L | A | -0.2003 | |
| 45 | F | A | 0.0000 | |
| 46 | G | A | 0.0000 | |
| 47 | V | A | 0.0000 | |
| 48 | N | A | -0.5804 | |
| 49 | V | A | 0.0000 | |
| 50 | K | A | -0.7300 | |
| 51 | I | A | 0.0000 | |
| 52 | S | A | -0.1283 | |
| 53 | V | A | 0.0000 | |
| 54 | G | A | 0.0000 | |
| 55 | G | A | 0.0000 | |
| 56 | T | A | -1.1375 | |
| 57 | K | A | -1.6766 | |
| 58 | L | A | 0.0000 | |
| 59 | L | A | -0.4988 | |
| 60 | T | A | -1.1113 | |
| 61 | S | A | 0.0000 | |
| 62 | F | A | 0.0000 | |
| 63 | T | A | -1.1998 | |
| 64 | K | A | -1.9245 | |
| 65 | G | A | -1.1602 | |
| 66 | D | A | -1.4206 | |
| 67 | N | A | 0.0000 | |
| 68 | S | A | -0.4485 | |
| 69 | L | A | -0.1193 | |
| 70 | V | A | 0.0000 | |
| 71 | V | A | 0.0000 | |
| 72 | A | A | 0.0000 | |
| 73 | T | A | -0.4711 | |
| 74 | D | A | -0.8880 | |
| 75 | S | A | 0.0000 | |
| 76 | M | A | 0.0000 | |
| 77 | K | A | 0.0000 | |
| 78 | N | A | -0.7191 | |
| 79 | F | A | 0.0000 | |
| 80 | I | A | 0.0000 | |
| 81 | Q | A | 0.0000 | |
| 82 | K | A | -0.9869 | |
| 83 | H | A | 0.0000 | |
| 84 | L | A | 0.0000 | |
| 85 | A | A | 0.0000 | |
| 86 | S | A | -0.4563 | |
| 87 | Y | A | 0.0000 | |
| 88 | T | A | -0.5245 | |
| 89 | G | A | -0.5263 | |
| 90 | T | A | -0.8564 | |
| 91 | T | A | 0.0000 | |
| 92 | I | A | 0.0000 | |
| 93 | E | A | 0.0000 | |
| 94 | G | A | 0.0000 | |
| 95 | F | A | 0.0000 | |
| 96 | L | A | 0.0000 | |
| 97 | E | A | -0.1480 | |
| 98 | Y | A | 0.1638 | |
| 99 | V | A | 0.0000 | |
| 100 | A | A | 0.0000 | |
| 101 | T | A | -0.6259 | |
| 102 | S | A | -0.8436 | |
| 103 | F | A | 0.0000 | |
| 104 | L | A | 0.0000 | |
| 105 | K | A | -2.3865 | |
| 106 | K | A | -1.8906 | |
| 107 | Y | A | 0.0000 | |
| 108 | S | A | -1.3318 | |
| 109 | H | A | -1.1917 | |
| 110 | I | A | 0.0000 | |
| 111 | E | A | -1.9768 | |
| 112 | K | A | -1.1349 | |
| 113 | I | A | 0.0000 | |
| 114 | S | A | -0.1893 | |
| 115 | L | A | 0.0000 | |
| 116 | I | A | 0.2014 | |
| 117 | G | A | 0.0000 | |
| 118 | E | A | -0.6449 | |
| 119 | E | A | -0.4105 | |
| 120 | I | A | 0.0000 | |
| 121 | P | A | -0.4151 | |
| 122 | F | A | -0.4923 | |
| 123 | E | A | -1.1691 | |
| 124 | T | A | -0.6987 | |
| 125 | T | A | 0.0000 | |
| 126 | F | A | 0.2644 | |
| 127 | A | A | 0.0000 | |
| 128 | V | A | -1.7698 | |
| 129 | K | A | -2.8016 | |
| 130 | N | A | -2.7082 | |
| 131 | G | A | -2.3224 | |
| 132 | N | A | -2.6920 | |
| 133 | R | A | -1.8191 | |
| 134 | A | A | -0.7865 | |
| 135 | A | A | -0.3007 | |
| 136 | S | A | 0.0000 | |
| 137 | E | A | -1.5456 | |
| 138 | L | A | -0.5720 | |
| 139 | V | A | 0.0000 | |
| 140 | F | A | 0.0000 | |
| 141 | K | A | -0.7173 | |
| 142 | K | A | -0.6731 | |
| 143 | S | A | 0.0000 | |
| 144 | R | A | -0.6670 | |
| 145 | N | A | 0.0000 | |
| 146 | E | A | -0.4031 | |
| 147 | Y | A | -0.1553 | |
| 148 | A | A | -0.3043 | |
| 149 | T | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | Y | A | -0.1125 | |
| 152 | L | A | 0.0000 | |
| 153 | N | A | -0.6358 | |
| 154 | M | A | 0.0000 | |
| 155 | V | A | -1.1927 | |
| 156 | R | A | -2.3724 | |
| 157 | N | A | -3.1669 | |
| 158 | E | A | -3.6173 | |
| 159 | D | A | -3.5679 | |
| 160 | N | A | -3.3826 | |
| 161 | T | A | -2.1108 | |
| 162 | L | A | -1.5209 | |
| 163 | N | A | -1.3686 | |
| 164 | I | A | -0.5315 | |
| 165 | T | A | -0.7539 | |
| 166 | E | A | -1.2944 | |
| 167 | Q | A | 0.0000 | |
| 168 | Q | A | -0.5976 | |
| 169 | S | A | 0.0000 | |
| 170 | G | A | 0.0000 | |
| 171 | L | A | 0.0000 | |
| 172 | A | A | 0.0000 | |
| 173 | G | A | -0.2023 | |
| 174 | L | A | 0.0000 | |
| 175 | Q | A | -0.2559 | |
| 176 | L | A | 0.0000 | |
| 177 | I | A | 0.0000 | |
| 178 | K | A | 0.0000 | |
| 179 | V | A | 0.0000 | |
| 180 | S | A | -0.7908 | |
| 181 | G | A | -1.3342 | |
| 182 | N | A | 0.0000 | |
| 183 | S | A | -0.9794 | |
| 184 | F | A | -0.3828 | |
| 185 | V | A | -0.3302 | |
| 186 | G | A | -0.7047 | |
| 187 | F | A | 0.0000 | |
| 188 | I | A | -0.6269 | |
| 189 | R | A | -2.0936 | |
| 190 | D | A | -1.9524 | |
| 191 | E | A | -2.2729 | |
| 192 | Y | A | -1.3870 | |
| 193 | T | A | -1.1970 | |
| 194 | T | A | -0.8216 | |
| 195 | L | A | -0.5660 | |
| 196 | P | A | -0.9506 | |
| 197 | E | A | -1.7285 | |
| 198 | D | A | -1.4723 | |
| 199 | S | A | -1.2218 | |
| 200 | N | A | -1.9415 | |
| 201 | R | A | -1.4300 | |
| 202 | P | A | 0.0000 | |
| 203 | L | A | 0.0000 | |
| 204 | F | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | Y | A | -0.1484 | |
| 207 | L | A | 0.0000 | |
| 208 | N | A | -0.6346 | |
| 209 | I | A | 0.0000 | |
| 210 | K | A | -0.6193 | |
| 211 | W | A | 0.0000 | |
| 212 | K | A | -1.5680 | |
| 213 | Y | A | 0.0000 | |
| 214 | K | A | -2.8397 | |
| 215 | N | A | -2.5500 | |
| 216 | T | A | -1.9679 | |
| 217 | E | A | -2.5192 | |
| 218 | D | A | -2.0777 | |
| 219 | S | A | 0.0000 | |
| 220 | F | A | -0.5942 | |
| 221 | G | A | 0.0000 | |
| 222 | T | A | -0.9898 | |
| 223 | N | A | -1.7141 | |
| 224 | P | A | -1.7497 | |
| 225 | E | A | -2.4761 | |
| 226 | N | A | -1.9806 | |
| 227 | Y | A | 0.0000 | |
| 228 | V | A | 0.0000 | |
| 229 | A | A | 0.0000 | |
| 230 | A | A | 0.0000 | |
| 231 | E | A | -0.4913 | |
| 232 | Q | A | 0.0000 | |
| 233 | I | A | 0.0000 | |
| 234 | R | A | -0.3925 | |
| 235 | D | A | 0.0000 | |
| 236 | I | A | 0.0000 | |
| 237 | A | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | S | A | 0.0000 | |
| 240 | V | A | 0.0000 | |
| 241 | F | A | 0.0000 | |
| 242 | H | A | -0.9753 | |
| 243 | E | A | -1.6653 | |
| 244 | T | A | -1.4841 | |
| 245 | E | A | -2.2459 | |
| 246 | T | A | 0.0000 | |
| 247 | L | A | -0.4540 | |
| 248 | S | A | 0.0000 | |
| 249 | I | A | 0.0000 | |
| 250 | Q | A | 0.0000 | |
| 251 | H | A | -0.6981 | |
| 252 | L | A | 0.0000 | |
| 253 | I | A | 0.0000 | |
| 254 | Y | A | 0.0000 | |
| 255 | L | A | -0.2167 | |
| 256 | I | A | 0.0000 | |
| 257 | G | A | 0.0000 | |
| 258 | R | A | -1.7656 | |
| 259 | R | A | -1.4559 | |
| 260 | I | A | 0.0000 | |
| 261 | L | A | 0.0000 | |
| 262 | E | A | -2.6547 | |
| 263 | R | A | -1.8702 | |
| 264 | F | A | 0.0000 | |
| 265 | P | A | -1.4995 | |
| 266 | Q | A | -1.6348 | |
| 267 | L | A | 0.0000 | |
| 268 | Q | A | -2.0265 | |
| 269 | E | A | -1.6068 | |
| 270 | V | A | 0.0000 | |
| 271 | Y | A | -0.1904 | |
| 272 | F | A | 0.0000 | |
| 273 | E | A | -0.9534 | |
| 274 | S | A | 0.0000 | |
| 275 | Q | A | -0.4987 | |
| 276 | N | A | -0.3008 | |
| 277 | H | A | -0.5113 | |
| 278 | T | A | -0.5874 | |
| 279 | W | A | 0.0000 | |
| 280 | D | A | -1.4445 | |
| 281 | K | A | -1.7862 | |
| 282 | I | A | -0.9047 | |
| 283 | V | A | -1.6072 | |
| 284 | E | A | -3.0554 | |
| 285 | E | A | -3.3585 | |
| 286 | I | A | 0.0000 | |
| 287 | P | A | -1.8801 | |
| 288 | E | A | -2.5958 | |
| 289 | S | A | -2.3957 | |
| 290 | E | A | -2.8428 | |
| 291 | G | A | 0.0000 | |
| 292 | K | A | -1.8727 | |
| 293 | V | A | 0.0000 | |
| 294 | Y | A | 0.0000 | |
| 295 | T | A | 0.0000 | |
| 296 | E | A | -1.0993 | |
| 297 | P | A | -1.1192 | |
| 298 | R | A | -1.1769 | |
| 299 | P | A | -0.7669 | |
| 300 | P | A | -0.6507 | |
| 301 | Y | A | -0.4903 | |
| 302 | G | A | 0.0000 | |
| 303 | F | A | -0.1657 | |
| 304 | Q | A | 0.0000 | |
| 305 | C | A | 0.0537 | |
| 306 | F | A | 0.0000 | |
| 307 | T | A | 0.0000 | |
| 308 | V | A | 0.0000 | |
| 309 | T | A | -1.8729 | |
| 310 | Q | A | -2.4040 | |
| 311 | E | A | -2.7548 | |
| 312 | D | A | -2.4888 | |
| 7 | R | B | -1.4109 | |
| 8 | V | B | 0.0706 | |
| 9 | M | B | 0.0000 | |
| 10 | Y | B | 0.2864 | |
| 11 | Y | B | 0.0000 | |
| 12 | G | B | 0.0000 | |
| 13 | K | B | 0.0000 | |
| 14 | G | B | 0.0000 | |
| 15 | D | B | -0.9828 | |
| 16 | V | B | 0.0000 | |
| 17 | F | B | -0.3275 | |
| 18 | A | B | 0.0000 | |
| 19 | Y | B | 0.0000 | |
| 20 | R | B | 0.0000 | |
| 21 | T | B | 0.0000 | |
| 22 | Y | B | -0.6746 | |
| 23 | L | B | 0.0000 | |
| 24 | K | B | -2.0237 | |
| 25 | P | B | -1.6511 | |
| 26 | L | B | 0.0000 | |
| 27 | T | B | -1.3084 | |
| 28 | G | B | -1.2233 | |
| 29 | V | B | -1.4791 | |
| 30 | R | B | -2.0751 | |
| 31 | T | B | -1.1517 | |
| 32 | I | B | 0.0000 | |
| 33 | P | B | -0.6245 | |
| 34 | E | B | 0.0000 | |
| 35 | S | B | 0.0000 | |
| 36 | P | B | -0.4151 | |
| 37 | F | B | -0.4238 | |
| 38 | S | B | -0.8561 | |
| 39 | G | B | -1.0635 | |
| 40 | R | B | -1.4116 | |
| 41 | D | B | -2.3365 | |
| 42 | H | B | 0.0000 | |
| 43 | I | B | -0.6096 | |
| 44 | L | B | -0.1760 | |
| 45 | F | B | 0.0000 | |
| 46 | G | B | 0.0000 | |
| 47 | V | B | 0.0000 | |
| 48 | N | B | -0.6150 | |
| 49 | V | B | 0.0000 | |
| 50 | K | B | -0.7234 | |
| 51 | I | B | 0.0000 | |
| 52 | S | B | -0.0987 | |
| 53 | V | B | 0.0000 | |
| 54 | G | B | 0.0000 | |
| 55 | G | B | 0.0000 | |
| 56 | T | B | -1.1064 | |
| 57 | K | B | -1.5936 | |
| 58 | L | B | 0.0000 | |
| 59 | L | B | -0.4101 | |
| 60 | T | B | -1.0464 | |
| 61 | S | B | 0.0000 | |
| 62 | F | B | 0.0000 | |
| 63 | T | B | -1.1171 | |
| 64 | K | B | -1.9193 | |
| 65 | G | B | 0.0000 | |
| 66 | D | B | -1.4492 | |
| 67 | N | B | 0.0000 | |
| 68 | S | B | -0.4294 | |
| 69 | L | B | -0.0441 | |
| 70 | V | B | 0.0000 | |
| 71 | V | B | 0.0000 | |
| 72 | A | B | 0.0000 | |
| 73 | T | B | -0.2606 | |
| 74 | D | B | -0.5201 | |
| 75 | S | B | 0.0000 | |
| 76 | M | B | 0.0000 | |
| 77 | K | B | -0.6800 | |
| 78 | N | B | -0.6642 | |
| 79 | F | B | 0.0000 | |
| 80 | I | B | 0.0000 | |
| 81 | Q | B | 0.0000 | |
| 82 | K | B | -0.7892 | |
| 83 | H | B | 0.0000 | |
| 84 | L | B | 0.0000 | |
| 85 | A | B | 0.0000 | |
| 86 | S | B | -0.5843 | |
| 87 | Y | B | 0.0000 | |
| 88 | T | B | -0.5089 | |
| 89 | G | B | -0.5452 | |
| 90 | T | B | -0.8574 | |
| 91 | T | B | 0.0000 | |
| 92 | I | B | 0.0000 | |
| 93 | E | B | 0.0000 | |
| 94 | G | B | 0.0000 | |
| 95 | F | B | 0.0000 | |
| 96 | L | B | 0.0000 | |
| 97 | E | B | -0.3510 | |
| 98 | Y | B | 0.1696 | |
| 99 | V | B | 0.0000 | |
| 100 | A | B | 0.0000 | |
| 101 | T | B | -0.6455 | |
| 102 | S | B | -0.8403 | |
| 103 | F | B | 0.0000 | |
| 104 | L | B | 0.0000 | |
| 105 | K | B | -2.3982 | |
| 106 | K | B | -1.9169 | |
| 107 | Y | B | 0.0000 | |
| 108 | S | B | -1.2200 | |
| 109 | H | B | 0.0000 | |
| 110 | I | B | 0.0000 | |
| 111 | E | B | -1.5498 | |
| 112 | K | B | -0.9400 | |
| 113 | I | B | 0.0000 | |
| 114 | S | B | 0.0000 | |
| 115 | L | B | 0.0000 | |
| 116 | I | B | 0.1484 | |
| 117 | G | B | 0.0000 | |
| 118 | E | B | -0.7195 | |
| 119 | E | B | -0.6293 | |
| 120 | I | B | 0.0000 | |
| 121 | P | B | -0.4172 | |
| 122 | F | B | -0.4515 | |
| 123 | E | B | -0.9752 | |
| 124 | T | B | -0.5744 | |
| 125 | T | B | 0.0000 | |
| 126 | F | B | 0.4780 | |
| 127 | A | B | 0.0000 | |
| 128 | V | B | -1.2316 | |
| 129 | K | B | -2.3120 | |
| 130 | N | B | -2.4555 | |
| 131 | G | B | -2.1620 | |
| 132 | N | B | -2.4133 | |
| 133 | R | B | -1.4763 | |
| 134 | A | B | -0.7998 | |
| 135 | A | B | -0.1648 | |
| 136 | S | B | 0.0000 | |
| 137 | E | B | -1.6820 | |
| 138 | L | B | -0.5208 | |
| 139 | V | B | 0.0000 | |
| 140 | F | B | 0.0000 | |
| 141 | K | B | -0.7118 | |
| 142 | K | B | -0.6453 | |
| 143 | S | B | 0.0000 | |
| 144 | R | B | -0.6942 | |
| 145 | N | B | 0.0000 | |
| 146 | E | B | -0.4706 | |
| 147 | Y | B | -0.2152 | |
| 148 | A | B | -0.3704 | |
| 149 | T | B | -0.2546 | |
| 150 | A | B | 0.0000 | |
| 151 | Y | B | -0.0413 | |
| 152 | L | B | 0.0000 | |
| 153 | N | B | -0.6329 | |
| 154 | M | B | 0.0000 | |
| 155 | V | B | -1.0603 | |
| 156 | R | B | -2.0805 | |
| 157 | N | B | -2.6412 | |
| 158 | E | B | -3.3088 | |
| 159 | D | B | -3.4007 | |
| 160 | N | B | -3.2163 | |
| 161 | T | B | -1.9641 | |
| 162 | L | B | -1.4123 | |
| 163 | N | B | -1.2906 | |
| 164 | I | B | -0.5539 | |
| 165 | T | B | -0.6647 | |
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| 8 | V | C | 0.0536 | |
| 9 | M | C | 0.0000 | |
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| 25 | P | C | -1.6305 | |
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| 29 | V | C | -1.5562 | |
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| 32 | I | C | 0.0000 | |
| 33 | P | C | -0.6505 | |
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| 50 | K | C | -0.5687 | |
| 51 | I | C | 0.0000 | |
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| 58 | L | C | 0.0000 | |
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| 64 | K | C | -1.9263 | |
| 65 | G | C | 0.0000 | |
| 66 | D | C | -1.5241 | |
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| 75 | S | C | 0.0000 | |
| 76 | M | C | 0.0000 | |
| 77 | K | C | -0.7187 | |
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| 82 | K | C | -1.1339 | |
| 83 | H | C | 0.0000 | |
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| 90 | T | C | -0.8115 | |
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| 93 | E | C | 0.0000 | |
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| 95 | F | C | 0.0000 | |
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| 99 | V | C | 0.0000 | |
| 100 | A | C | 0.0000 | |
| 101 | T | C | -0.6555 | |
| 102 | S | C | -0.9083 | |
| 103 | F | C | 0.0000 | |
| 104 | L | C | 0.0000 | |
| 105 | K | C | -2.5181 | |
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| 107 | Y | C | 0.0000 | |
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| 109 | H | C | -1.1686 | |
| 110 | I | C | 0.0000 | |
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| 113 | I | C | 0.0000 | |
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| 120 | I | C | 0.0000 | |
| 121 | P | C | -0.6361 | |
| 122 | F | C | -0.8333 | |
| 123 | E | C | -1.7576 | |
| 124 | T | C | -0.9614 | |
| 125 | T | C | 0.0000 | |
| 126 | F | C | 0.3821 | |
| 127 | A | C | 0.0000 | |
| 128 | V | C | -1.2338 | |
| 129 | K | C | -2.3187 | |
| 130 | N | C | -2.4860 | |
| 131 | G | C | -2.1498 | |
| 132 | N | C | -2.4035 | |
| 133 | R | C | -1.4886 | |
| 134 | A | C | -0.8248 | |
| 135 | A | C | -0.3262 | |
| 136 | S | C | 0.0000 | |
| 137 | E | C | -1.6730 | |
| 138 | L | C | -0.5134 | |
| 139 | V | C | 0.0000 | |
| 140 | F | C | 0.0000 | |
| 141 | K | C | -0.9393 | |
| 142 | K | C | -0.8342 | |
| 143 | S | C | -0.8793 | |
| 144 | R | C | -0.6743 | |
| 145 | N | C | 0.0000 | |
| 146 | E | C | -0.5138 | |
| 147 | Y | C | -0.2666 | |
| 148 | A | C | -0.4040 | |
| 149 | T | C | 0.0000 | |
| 150 | A | C | 0.0000 | |
| 151 | Y | C | -0.0736 | |
| 152 | L | C | 0.0000 | |
| 153 | N | C | -0.7012 | |
| 154 | M | C | 0.0000 | |
| 155 | V | C | -0.9899 | |
| 156 | R | C | -2.0629 | |
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| 158 | E | C | -3.2965 | |
| 159 | D | C | -3.3807 | |
| 160 | N | C | -3.2070 | |
| 161 | T | C | -1.9539 | |
| 162 | L | C | -1.3852 | |
| 163 | N | C | -1.2603 | |
| 164 | I | C | -0.7876 | |
| 165 | T | C | -0.7737 | |
| 166 | E | C | -1.3921 | |
| 167 | Q | C | -1.3195 | |
| 168 | Q | C | -0.6579 | |
| 169 | S | C | 0.0000 | |
| 170 | G | C | 0.0000 | |
| 171 | L | C | 0.0000 | |
| 172 | A | C | 0.0000 | |
| 173 | G | C | -0.2249 | |
| 174 | L | C | 0.0000 | |
| 175 | Q | C | -0.3414 | |
| 176 | L | C | 0.0000 | |
| 177 | I | C | 0.0000 | |
| 178 | K | C | 0.0000 | |
| 179 | V | C | 0.0000 | |
| 180 | S | C | -0.9282 | |
| 181 | G | C | -1.1701 | |
| 182 | N | C | 0.0000 | |
| 183 | S | C | -1.0868 | |
| 184 | F | C | -0.5409 | |
| 185 | V | C | -0.5941 | |
| 186 | G | C | -0.8334 | |
| 187 | F | C | 0.0000 | |
| 188 | I | C | -0.7453 | |
| 189 | R | C | -2.4221 | |
| 190 | D | C | -2.1345 | |
| 191 | E | C | -2.3536 | |
| 192 | Y | C | -1.4826 | |
| 193 | T | C | -1.3232 | |
| 194 | T | C | -0.9650 | |
| 195 | L | C | -0.7195 | |
| 196 | P | C | -1.3216 | |
| 197 | E | C | -2.4259 | |
| 198 | D | C | -1.9021 | |
| 199 | S | C | -1.4029 | |
| 200 | N | C | -2.0426 | |
| 201 | R | C | -1.5186 | |
| 202 | P | C | 0.0000 | |
| 203 | L | C | 0.0000 | |
| 204 | F | C | 0.0000 | |
| 205 | V | C | 0.0000 | |
| 206 | Y | C | -0.1926 | |
| 207 | L | C | 0.0000 | |
| 208 | N | C | -0.7958 | |
| 209 | I | C | 0.0000 | |
| 210 | K | C | -0.6408 | |
| 211 | W | C | 0.0000 | |
| 212 | K | C | -1.6688 | |
| 213 | Y | C | 0.0000 | |
| 214 | K | C | -2.8197 | |
| 215 | N | C | -2.4793 | |
| 216 | T | C | -1.9866 | |
| 217 | E | C | -2.5013 | |
| 218 | D | C | -1.9983 | |
| 219 | S | C | 0.0000 | |
| 220 | F | C | -0.6385 | |
| 221 | G | C | 0.0000 | |
| 222 | T | C | -0.9930 | |
| 223 | N | C | -1.6858 | |
| 224 | P | C | -1.5572 | |
| 225 | E | C | -2.2974 | |
| 226 | N | C | -1.8542 | |
| 227 | Y | C | 0.0000 | |
| 228 | V | C | 0.0000 | |
| 229 | A | C | 0.0000 | |
| 230 | A | C | 0.0000 | |
| 231 | E | C | -0.4958 | |
| 232 | Q | C | 0.0000 | |
| 233 | I | C | 0.0000 | |
| 234 | R | C | -0.5183 | |
| 235 | D | C | 0.0000 | |
| 236 | I | C | 0.0000 | |
| 237 | A | C | 0.0000 | |
| 238 | T | C | 0.0000 | |
| 239 | S | C | 0.0000 | |
| 240 | V | C | 0.0000 | |
| 241 | F | C | 0.0000 | |
| 242 | H | C | -0.7978 | |
| 243 | E | C | -1.0398 | |
| 244 | T | C | -1.0458 | |
| 245 | E | C | -2.0336 | |
| 246 | T | C | 0.0000 | |
| 247 | L | C | -0.3557 | |
| 248 | S | C | 0.0000 | |
| 249 | I | C | 0.0000 | |
| 250 | Q | C | 0.0000 | |
| 251 | H | C | -0.6709 | |
| 252 | L | C | 0.0000 | |
| 253 | I | C | 0.0000 | |
| 254 | Y | C | 0.0000 | |
| 255 | L | C | -0.4363 | |
| 256 | I | C | 0.0000 | |
| 257 | G | C | 0.0000 | |
| 258 | R | C | -2.4742 | |
| 259 | R | C | -1.6899 | |
| 260 | I | C | 0.0000 | |
| 261 | L | C | 0.0000 | |
| 262 | E | C | -2.7115 | |
| 263 | R | C | -1.7676 | |
| 264 | F | C | 0.0000 | |
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| 266 | Q | C | -1.5463 | |
| 267 | L | C | 0.0000 | |
| 268 | Q | C | -2.0837 | |
| 269 | E | C | -1.6370 | |
| 270 | V | C | 0.0000 | |
| 271 | Y | C | -0.2039 | |
| 272 | F | C | 0.0000 | |
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| 274 | S | C | 0.0000 | |
| 275 | Q | C | -0.5116 | |
| 276 | N | C | -0.3619 | |
| 277 | H | C | -0.5355 | |
| 278 | T | C | -0.5969 | |
| 279 | W | C | 0.0000 | |
| 280 | D | C | -1.4508 | |
| 281 | K | C | -1.7027 | |
| 282 | I | C | -0.6445 | |
| 283 | V | C | -1.3986 | |
| 284 | E | C | -2.9715 | |
| 285 | E | C | -3.2522 | |
| 286 | I | C | 0.0000 | |
| 287 | P | C | -1.9455 | |
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| 290 | E | C | -2.8216 | |
| 291 | G | C | 0.0000 | |
| 292 | K | C | -1.6609 | |
| 293 | V | C | 0.0000 | |
| 294 | Y | C | 0.0000 | |
| 295 | T | C | 0.0000 | |
| 296 | E | C | -1.0358 | |
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| 301 | Y | C | -0.5263 | |
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| 310 | Q | C | -2.8158 | |
| 311 | E | C | -3.0793 | |
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| 7 | R | D | -1.4432 | |
| 8 | V | D | 0.0201 | |
| 9 | M | D | 0.0000 | |
| 10 | Y | D | 0.2596 | |
| 11 | Y | D | 0.0000 | |
| 12 | G | D | 0.0000 | |
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| 14 | G | D | 0.0000 | |
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| 22 | Y | D | -0.6445 | |
| 23 | L | D | 0.0000 | |
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| 25 | P | D | -1.6245 | |
| 26 | L | D | 0.0000 | |
| 27 | T | D | -1.4873 | |
| 28 | G | D | -1.6060 | |
| 29 | V | D | 0.0000 | |
| 30 | R | D | -2.3848 | |
| 31 | T | D | -1.2533 | |
| 32 | I | D | 0.0000 | |
| 33 | P | D | -0.7419 | |
| 34 | E | D | 0.0000 | |
| 35 | S | D | 0.0000 | |
| 36 | P | D | -0.2635 | |
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| 40 | R | D | -1.4540 | |
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| 42 | H | D | 0.0000 | |
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| 45 | F | D | 0.0000 | |
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| 48 | N | D | -0.5856 | |
| 49 | V | D | 0.0000 | |
| 50 | K | D | -0.7480 | |
| 51 | I | D | 0.0000 | |
| 52 | S | D | -0.0813 | |
| 53 | V | D | 0.0000 | |
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| 55 | G | D | 0.0000 | |
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| 65 | G | D | -1.1475 | |
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| 72 | A | D | 0.0000 | |
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| 76 | M | D | 0.0000 | |
| 77 | K | D | -0.8031 | |
| 78 | N | D | -0.8217 | |
| 79 | F | D | 0.0000 | |
| 80 | I | D | 0.0000 | |
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| 82 | K | D | -1.0749 | |
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| 85 | A | D | 0.0000 | |
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| 90 | T | D | -0.8323 | |
| 91 | T | D | 0.0000 | |
| 92 | I | D | 0.0000 | |
| 93 | E | D | 0.0000 | |
| 94 | G | D | 0.0000 | |
| 95 | F | D | 0.0000 | |
| 96 | L | D | 0.0000 | |
| 97 | E | D | -0.2846 | |
| 98 | Y | D | 0.2176 | |
| 99 | V | D | 0.0000 | |
| 100 | A | D | 0.0000 | |
| 101 | T | D | -0.5040 | |
| 102 | S | D | -0.8180 | |
| 103 | F | D | 0.0000 | |
| 104 | L | D | 0.0000 | |
| 105 | K | D | -2.3812 | |
| 106 | K | D | -1.9035 | |
| 107 | Y | D | 0.0000 | |
| 108 | S | D | -1.2828 | |
| 109 | H | D | -1.1068 | |
| 110 | I | D | 0.0000 | |
| 111 | E | D | -1.5586 | |
| 112 | K | D | -0.7273 | |
| 113 | I | D | 0.0000 | |
| 114 | S | D | -0.1500 | |
| 115 | L | D | 0.0000 | |
| 116 | I | D | 0.2605 | |
| 117 | G | D | 0.0000 | |
| 118 | E | D | -0.6918 | |
| 119 | E | D | -0.5640 | |
| 120 | I | D | 0.0000 | |
| 121 | P | D | -0.3657 | |
| 122 | F | D | -0.3056 | |
| 123 | E | D | -0.8259 | |
| 124 | T | D | -0.4219 | |
| 125 | T | D | 0.0000 | |
| 126 | F | D | 0.2490 | |
| 127 | A | D | 0.0000 | |
| 128 | V | D | -0.9262 | |
| 129 | K | D | -1.7443 | |
| 130 | N | D | -2.1033 | |
| 131 | G | D | -1.8716 | |
| 132 | N | D | -2.0637 | |
| 133 | R | D | -1.1856 | |
| 134 | A | D | -0.6692 | |
| 135 | A | D | -0.1029 | |
| 136 | S | D | 0.0000 | |
| 137 | E | D | -0.8060 | |
| 138 | L | D | -0.2572 | |
| 139 | V | D | 0.0000 | |
| 140 | F | D | 0.0000 | |
| 141 | K | D | 0.0000 | |
| 142 | K | D | -0.5497 | |
| 143 | S | D | 0.0000 | |
| 144 | R | D | -0.7007 | |
| 145 | N | D | 0.0000 | |
| 146 | E | D | -0.5356 | |
| 147 | Y | D | -0.2379 | |
| 148 | A | D | 0.0000 | |
| 149 | T | D | 0.0000 | |
| 150 | A | D | 0.0000 | |
| 151 | Y | D | -0.0842 | |
| 152 | L | D | 0.0000 | |
| 153 | N | D | -0.4776 | |
| 154 | M | D | 0.0000 | |
| 155 | V | D | -0.7683 | |
| 156 | R | D | -2.0347 | |
| 157 | N | D | -2.9149 | |
| 158 | E | D | -3.5399 | |
| 159 | D | D | -3.5494 | |
| 160 | N | D | -3.3057 | |
| 161 | T | D | -1.9290 | |
| 162 | L | D | -1.0396 | |
| 163 | N | D | -0.5775 | |
| 164 | I | D | -0.1004 | |
| 165 | T | D | -0.4836 | |
| 166 | E | D | -1.1347 | |
| 167 | Q | D | -0.8413 | |
| 168 | Q | D | -0.6213 | |
| 169 | S | D | 0.0000 | |
| 170 | G | D | 0.0000 | |
| 171 | L | D | 0.0000 | |
| 172 | A | D | 0.0000 | |
| 173 | G | D | -0.2425 | |
| 174 | L | D | 0.0000 | |
| 175 | Q | D | -0.3292 | |
| 176 | L | D | 0.0000 | |
| 177 | I | D | 0.0000 | |
| 178 | K | D | 0.0000 | |
| 179 | V | D | 0.0000 | |
| 180 | S | D | -0.6801 | |
| 181 | G | D | -1.1652 | |
| 182 | N | D | 0.0000 | |
| 183 | S | D | -0.8603 | |
| 184 | F | D | -0.2293 | |
| 185 | V | D | -0.4057 | |
| 186 | G | D | -0.7701 | |
| 187 | F | D | 0.0000 | |
| 188 | I | D | -0.6424 | |
| 189 | R | D | -2.1273 | |
| 190 | D | D | -1.9604 | |
| 191 | E | D | -2.2863 | |
| 192 | Y | D | -1.4456 | |
| 193 | T | D | -1.2338 | |
| 194 | T | D | -0.8881 | |
| 195 | L | D | -0.5868 | |
| 196 | P | D | -1.0513 | |
| 197 | E | D | -1.8845 | |
| 198 | D | D | -1.3688 | |
| 199 | S | D | -1.0365 | |
| 200 | N | D | -1.5400 | |
| 201 | R | D | -1.2707 | |
| 202 | P | D | 0.0000 | |
| 203 | L | D | 0.0000 | |
| 204 | F | D | 0.0000 | |
| 205 | V | D | 0.0000 | |
| 206 | Y | D | -0.1581 | |
| 207 | L | D | 0.0000 | |
| 208 | N | D | -0.8117 | |
| 209 | I | D | 0.0000 | |
| 210 | K | D | -0.6916 | |
| 211 | W | D | 0.0000 | |
| 212 | K | D | -1.5949 | |
| 213 | Y | D | 0.0000 | |
| 214 | K | D | -2.8484 | |
| 215 | N | D | -2.5411 | |
| 216 | T | D | -1.9774 | |
| 217 | E | D | -2.5927 | |
| 218 | D | D | -2.2504 | |
| 219 | S | D | 0.0000 | |
| 220 | F | D | -0.6264 | |
| 221 | G | D | 0.0000 | |
| 222 | T | D | -1.1125 | |
| 223 | N | D | -1.9949 | |
| 224 | P | D | -2.0122 | |
| 225 | E | D | -2.9869 | |
| 226 | N | D | -2.2327 | |
| 227 | Y | D | 0.0000 | |
| 228 | V | D | 0.0000 | |
| 229 | A | D | 0.0000 | |
| 230 | A | D | 0.0000 | |
| 231 | E | D | -0.4423 | |
| 232 | Q | D | 0.0000 | |
| 233 | I | D | 0.0000 | |
| 234 | R | D | -0.3770 | |
| 235 | D | D | 0.0000 | |
| 236 | I | D | 0.0000 | |
| 237 | A | D | 0.0000 | |
| 238 | T | D | 0.0000 | |
| 239 | S | D | 0.0000 | |
| 240 | V | D | 0.0000 | |
| 241 | F | D | 0.0000 | |
| 242 | H | D | 0.0000 | |
| 243 | E | D | -1.5558 | |
| 244 | T | D | -1.1946 | |
| 245 | E | D | -2.0795 | |
| 246 | T | D | 0.0000 | |
| 247 | L | D | -0.4760 | |
| 248 | S | D | -0.0693 | |
| 249 | I | D | 0.0000 | |
| 250 | Q | D | 0.0000 | |
| 251 | H | D | -0.6160 | |
| 252 | L | D | 0.0000 | |
| 253 | I | D | 0.0000 | |
| 254 | Y | D | 0.0000 | |
| 255 | L | D | -0.1063 | |
| 256 | I | D | 0.0000 | |
| 257 | G | D | 0.0000 | |
| 258 | R | D | -1.6227 | |
| 259 | R | D | -1.1936 | |
| 260 | I | D | 0.0000 | |
| 261 | L | D | 0.0000 | |
| 262 | E | D | -2.4159 | |
| 263 | R | D | -1.5365 | |
| 264 | F | D | 0.0000 | |
| 265 | P | D | -1.3870 | |
| 266 | Q | D | -1.5531 | |
| 267 | L | D | 0.0000 | |
| 268 | Q | D | -1.9568 | |
| 269 | E | D | -1.7379 | |
| 270 | V | D | 0.0000 | |
| 271 | Y | D | -0.4082 | |
| 272 | F | D | 0.0000 | |
| 273 | E | D | -1.0079 | |
| 274 | S | D | 0.0000 | |
| 275 | Q | D | -0.6067 | |
| 276 | N | D | -0.4195 | |
| 277 | H | D | -0.6039 | |
| 278 | T | D | -0.7183 | |
| 279 | W | D | 0.0000 | |
| 280 | D | D | -1.9231 | |
| 281 | K | D | -1.5956 | |
| 282 | I | D | -0.6935 | |
| 283 | V | D | -1.5028 | |
| 284 | E | D | -2.9040 | |
| 285 | E | D | -3.2910 | |
| 286 | I | D | 0.0000 | |
| 287 | P | D | -1.8701 | |
| 288 | E | D | -2.5497 | |
| 289 | S | D | -2.4130 | |
| 290 | E | D | -2.8296 | |
| 291 | G | D | 0.0000 | |
| 292 | K | D | -1.7857 | |
| 293 | V | D | 0.0000 | |
| 294 | Y | D | 0.0000 | |
| 295 | T | D | 0.0000 | |
| 296 | E | D | -1.1135 | |
| 297 | P | D | -1.1233 | |
| 298 | R | D | -0.9870 | |
| 299 | P | D | -0.5992 | |
| 300 | P | D | -0.6307 | |
| 301 | Y | D | -0.4951 | |
| 302 | G | D | 0.0000 | |
| 303 | F | D | 0.0000 | |
| 304 | Q | D | 0.0000 | |
| 305 | C | D | 0.0167 | |
| 306 | F | D | 0.0000 | |
| 307 | T | D | 0.0000 | |
| 308 | V | D | 0.0000 | |
| 309 | T | D | -1.8279 | |
| 310 | Q | D | -2.5048 | |
| 311 | E | D | -2.7332 | |
| 312 | D | D | -2.2518 |
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 | -0.5259 | 1.871 | View | CSV | PDB |
| 4.5 | -0.5882 | 1.8629 | View | CSV | PDB |
| 5.0 | -0.667 | 1.853 | View | CSV | PDB |
| 5.5 | -0.7491 | 1.8427 | View | CSV | PDB |
| 6.0 | -0.8196 | 1.8339 | View | CSV | PDB |
| 6.5 | -0.8655 | 1.8278 | View | CSV | PDB |
| 7.0 | -0.8819 | 1.8247 | View | CSV | PDB |
| 7.5 | -0.8754 | 1.8235 | View | CSV | PDB |
| 8.0 | -0.8552 | 1.8231 | View | CSV | PDB |
| 8.5 | -0.8265 | 1.823 | View | CSV | PDB |
| 9.0 | -0.7918 | 1.8229 | 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