| Chain sequence(s) |
A: SAEAQARLEAIFAQGREVLLALMEKEKASPEVVAAELAELDATLARTLAELKTATPEEQEAILKNAEAALAQLQADLAAA
B: MLLWVILLVLAPVSGQFARTPRPIIFLQPPWTTVFQGERVTLTCKGFRFYSPQKTKWYHRYLGKEILRETPDNILEVQESGEYRCQAQGSPLSSPVHLDFSSASLILQAPLSVFEGDSVVLRCRAKAEVTLNNTIYKNDNVLAFLNKRTDFHIPHACLKDNGAYRCTGYKESCCPVSSNTVKIQVQEPFTRPVLRASSFQPISGNPVTLTCETQLSLERSDVPLRFRFFRDDQTLGLGWSLSPNFQITAMWSKDSGFYWCKAATMPYSVISDSPRSWIQVQIPASHPVLTLSPEKALNFEGTKVTLHCETQEDSLRTLYRFYHEGVPLRHKSVRCERGASISFSLTTENSGNYYCTADNGLGAKPSKAVSLSVTVPVSHPVLNLSSPEDLIFEGAKVTLHCEAQRGSLPILYQFHHEGAALERRSANSAGGVAISFSLTAEHSGNYYCTADNGFGPQRSKAVSLSVTVPVSHPVLTLSSAEALTFEGATVTLHCEVQRGSPQILYQFYHEDMPLWSSSTPSVGRVSFSFSLTEGHSGNYYCTADNGFGPQRSEVVSLFVTVPVSRPILTLRVPRAQAVVGDLLELHCEAPRGSPPILYWFYHEDVTLGSSSAPSGGEASFNLSLTAEHSGNYSCEANNGLVAQHSDTISLSVIVPVSRPILTFRAPRAQAVVGDLLELHCEALRGSSPILYWFYHEDVTLGKISAPSGGGASFNLSLTTEHSGIYSCEADNGLEAQRSEMVTLKVAVPVSRPVLTLRAPGTHAAVGDLLELHCEALRGSPLILYRFFHEDVTLGNRSSPSGGASLNLSLTAEHSGNYSCEADNGLGAQRSETVTLYITGLTANRSGPFATGVAGGLLSIAGLAAGALLLYCWLSRKAGRKPASDPARSPSDSDSQEPTYHNVPAWEELQPVYTNANPRGENVVYSEVRIIQEKKKHAVASDPRHLRNKGSPIIYSEVKVASTPVSGSLFLASSAPHR input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:06)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:19:36)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/9aa676ce5e21055/tmp/folded.pdb (00:19:36)
[INFO] Main: Simulation completed successfully. (00:32:17)
|
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 | S | A | -1.4609 | |
| 2 | A | A | -1.4957 | |
| 3 | E | A | -2.5227 | |
| 4 | A | A | -2.3201 | |
| 5 | Q | A | -1.9671 | |
| 6 | A | A | -1.9049 | |
| 7 | R | A | -2.8360 | |
| 8 | L | A | 0.0000 | |
| 9 | E | A | -1.7168 | |
| 10 | A | A | -1.3288 | |
| 11 | I | A | 0.0000 | |
| 12 | F | A | 0.0000 | |
| 13 | A | A | -1.4799 | |
| 14 | Q | A | -1.8158 | |
| 15 | G | A | 0.0000 | |
| 16 | R | A | -1.7222 | |
| 17 | E | A | -2.3204 | |
| 18 | V | A | 0.0000 | |
| 19 | L | A | 0.0000 | |
| 20 | L | A | -0.8991 | |
| 21 | A | A | -1.5252 | |
| 22 | L | A | 0.0000 | |
| 23 | M | A | 0.0000 | |
| 24 | E | A | -3.0372 | |
| 25 | K | A | -2.8107 | |
| 26 | E | A | -2.3105 | |
| 27 | K | A | -2.8890 | |
| 28 | A | A | -1.5080 | |
| 29 | S | A | -1.0294 | |
| 30 | P | A | -1.1049 | |
| 31 | E | A | -1.3227 | |
| 32 | V | A | 0.1447 | |
| 33 | V | A | -0.1717 | |
| 34 | A | A | -0.2201 | |
| 35 | A | A | -0.2599 | |
| 36 | E | A | -0.3120 | |
| 37 | L | A | -0.1156 | |
| 38 | A | A | -0.3329 | |
| 39 | E | A | -1.0305 | |
| 40 | L | A | 0.0000 | |
| 41 | D | A | -1.0126 | |
| 42 | A | A | -0.6622 | |
| 43 | T | A | 0.0000 | |
| 44 | L | A | -0.4295 | |
| 45 | A | A | -0.4214 | |
| 46 | R | A | -0.6019 | |
| 47 | T | A | -0.7416 | |
| 48 | L | A | -0.7890 | |
| 49 | A | A | -1.0587 | |
| 50 | E | A | -1.7705 | |
| 51 | L | A | 0.0000 | |
| 52 | K | A | -2.1322 | |
| 53 | T | A | -1.2790 | |
| 54 | A | A | -1.4823 | |
| 55 | T | A | -1.4509 | |
| 56 | P | A | -1.6876 | |
| 57 | E | A | -2.6129 | |
| 58 | E | A | 0.0000 | |
| 59 | Q | A | -2.3413 | |
| 60 | E | A | -2.9332 | |
| 61 | A | A | 0.0000 | |
| 62 | I | A | -1.5477 | |
| 63 | L | A | -2.1042 | |
| 64 | K | A | -2.7543 | |
| 65 | N | A | -1.9132 | |
| 66 | A | A | 0.0000 | |
| 67 | E | A | -2.5297 | |
| 68 | A | A | -1.6160 | |
| 69 | A | A | -1.1523 | |
| 70 | L | A | -1.2000 | |
| 71 | A | A | -0.7987 | |
| 72 | Q | A | -0.6860 | |
| 73 | L | A | 0.0000 | |
| 74 | Q | A | -1.0824 | |
| 75 | A | A | -0.3015 | |
| 76 | D | A | 0.0000 | |
| 77 | L | A | -0.1230 | |
| 78 | A | A | -0.0425 | |
| 79 | A | A | 0.1376 | |
| 80 | A | A | -0.1910 | |
| 1 | M | B | 2.3986 | |
| 2 | L | B | 3.3993 | |
| 3 | L | B | 4.0012 | |
| 4 | W | B | 4.2350 | |
| 5 | V | B | 4.7153 | |
| 6 | I | B | 4.9594 | |
| 7 | L | B | 4.7904 | |
| 8 | L | B | 4.5640 | |
| 9 | V | B | 4.0566 | |
| 10 | L | B | 3.4165 | |
| 11 | A | B | 1.9933 | |
| 12 | P | B | 1.2206 | |
| 13 | V | B | 1.5017 | |
| 14 | S | B | 0.2922 | |
| 15 | G | B | 0.0025 | |
| 16 | Q | B | -0.5515 | |
| 17 | F | B | 0.6075 | |
| 18 | A | B | -0.3699 | |
| 19 | R | B | -1.7123 | |
| 20 | T | B | -1.1085 | |
| 21 | P | B | -1.1717 | |
| 22 | R | B | -1.8958 | |
| 23 | P | B | 0.0000 | |
| 24 | I | B | -0.3781 | |
| 25 | I | B | 0.0000 | |
| 26 | F | B | 0.4793 | |
| 27 | L | B | -0.1663 | |
| 28 | Q | B | -1.5127 | |
| 29 | P | B | -0.9876 | |
| 30 | P | B | -0.2843 | |
| 31 | W | B | -0.1861 | |
| 32 | T | B | -0.5043 | |
| 33 | T | B | 0.0000 | |
| 34 | V | B | 0.0000 | |
| 35 | F | B | 0.0000 | |
| 36 | Q | B | -2.5833 | |
| 37 | G | B | -2.2520 | |
| 38 | E | B | -2.4862 | |
| 39 | R | B | -3.6000 | |
| 40 | V | B | 0.0000 | |
| 41 | T | B | -1.4413 | |
| 42 | L | B | 0.0000 | |
| 43 | T | B | -0.2482 | |
| 44 | C | B | 0.0000 | |
| 45 | K | B | -0.9727 | |
| 46 | G | B | -0.6450 | |
| 47 | F | B | 0.7508 | |
| 48 | R | B | -0.6371 | |
| 49 | F | B | 0.1048 | |
| 50 | Y | B | 0.8898 | |
| 51 | S | B | -0.2927 | |
| 52 | P | B | -0.8557 | |
| 53 | Q | B | -1.7327 | |
| 54 | K | B | -2.5917 | |
| 55 | T | B | 0.0000 | |
| 56 | K | B | -1.8766 | |
| 57 | W | B | 0.0000 | |
| 58 | Y | B | -0.7622 | |
| 59 | H | B | 0.0000 | |
| 60 | R | B | -2.0584 | |
| 61 | Y | B | -0.7282 | |
| 62 | L | B | 0.4865 | |
| 63 | G | B | -1.1006 | |
| 64 | K | B | -2.4812 | |
| 65 | E | B | -2.5489 | |
| 66 | I | B | -0.7860 | |
| 67 | L | B | -0.2823 | |
| 68 | R | B | -1.2698 | |
| 69 | E | B | -2.4488 | |
| 70 | T | B | -1.7705 | |
| 71 | P | B | -1.5769 | |
| 72 | D | B | -1.4973 | |
| 73 | N | B | -1.0943 | |
| 74 | I | B | -0.3409 | |
| 75 | L | B | -0.8679 | |
| 76 | E | B | -2.4971 | |
| 77 | V | B | 0.0000 | |
| 78 | Q | B | -3.4618 | |
| 79 | E | B | -2.7394 | |
| 80 | S | B | 0.0000 | |
| 81 | G | B | -1.4883 | |
| 82 | E | B | 0.0000 | |
| 83 | Y | B | 0.0000 | |
| 84 | R | B | -0.8372 | |
| 85 | C | B | 0.0000 | |
| 86 | Q | B | -1.6737 | |
| 87 | A | B | 0.0000 | |
| 88 | Q | B | -1.7497 | |
| 89 | G | B | -0.9964 | |
| 90 | S | B | 0.0000 | |
| 91 | P | B | -1.1347 | |
| 92 | L | B | -0.7038 | |
| 93 | S | B | 0.0000 | |
| 94 | S | B | -0.7962 | |
| 95 | P | B | -0.7209 | |
| 96 | V | B | 0.0000 | |
| 97 | H | B | -1.4556 | |
| 98 | L | B | 0.0000 | |
| 99 | D | B | -2.1680 | |
| 100 | F | B | 0.0000 | |
| 101 | S | B | -1.2561 | |
| 102 | S | B | -0.9763 | |
| 103 | A | B | -0.5400 | |
| 104 | S | B | -0.9847 | |
| 105 | L | B | 0.0000 | |
| 106 | I | B | 0.0000 | |
| 107 | L | B | 0.0000 | |
| 108 | Q | B | 0.0000 | |
| 109 | A | B | 0.0000 | |
| 110 | P | B | 0.3192 | |
| 111 | L | B | 0.2337 | |
| 112 | S | B | -0.1777 | |
| 113 | V | B | 0.0000 | |
| 114 | F | B | 0.0000 | |
| 115 | E | B | -1.4148 | |
| 116 | G | B | 0.0000 | |
| 117 | D | B | -0.6911 | |
| 118 | S | B | -0.7195 | |
| 119 | V | B | 0.0000 | |
| 120 | V | B | -0.0333 | |
| 121 | L | B | 0.0000 | |
| 122 | R | B | -1.0014 | |
| 123 | C | B | 0.0000 | |
| 124 | R | B | -1.1412 | |
| 125 | A | B | -1.1486 | |
| 126 | K | B | -2.0531 | |
| 127 | A | B | -1.4984 | |
| 128 | E | B | -2.4676 | |
| 129 | V | B | 0.0000 | |
| 130 | T | B | -1.4266 | |
| 131 | L | B | -1.7515 | |
| 132 | N | B | -1.6402 | |
| 133 | N | B | 0.0000 | |
| 134 | T | B | 0.0000 | |
| 135 | I | B | 0.0000 | |
| 136 | Y | B | -0.2448 | |
| 137 | K | B | -1.5974 | |
| 138 | N | B | -2.6406 | |
| 139 | D | B | -2.6889 | |
| 140 | N | B | -1.6876 | |
| 141 | V | B | 0.9389 | |
| 142 | L | B | 1.0288 | |
| 143 | A | B | 1.4571 | |
| 144 | F | B | 1.3769 | |
| 145 | L | B | 0.0000 | |
| 146 | N | B | -2.4058 | |
| 147 | K | B | -3.1778 | |
| 148 | R | B | -3.0603 | |
| 149 | T | B | -2.0021 | |
| 150 | D | B | -1.2136 | |
| 151 | F | B | -0.1971 | |
| 152 | H | B | -0.7081 | |
| 153 | I | B | 0.0000 | |
| 154 | P | B | -0.9361 | |
| 155 | H | B | -1.2854 | |
| 156 | A | B | 0.0000 | |
| 157 | C | B | -0.8778 | |
| 158 | L | B | -0.1399 | |
| 159 | K | B | -1.3897 | |
| 160 | D | B | -1.2160 | |
| 161 | N | B | -1.6309 | |
| 162 | G | B | -1.7784 | |
| 163 | A | B | -2.0414 | |
| 164 | Y | B | 0.0000 | |
| 165 | R | B | -1.1827 | |
| 166 | C | B | 0.0000 | |
| 167 | T | B | 0.0623 | |
| 168 | G | B | 0.0000 | |
| 169 | Y | B | 0.1253 | |
| 170 | K | B | -1.1956 | |
| 171 | E | B | -1.9524 | |
| 172 | S | B | -0.7425 | |
| 173 | C | B | 0.4779 | |
| 174 | C | B | 0.7153 | |
| 175 | P | B | 0.2487 | |
| 176 | V | B | 0.4268 | |
| 177 | S | B | -0.1303 | |
| 178 | S | B | -0.4182 | |
| 179 | N | B | -0.8117 | |
| 180 | T | B | -1.0776 | |
| 181 | V | B | -0.9883 | |
| 182 | K | B | -2.2315 | |
| 183 | I | B | 0.0000 | |
| 184 | Q | B | -2.0958 | |
| 185 | V | B | 0.0000 | |
| 186 | Q | B | -1.8650 | |
| 187 | E | B | -2.3784 | |
| 188 | P | B | 0.0000 | |
| 189 | F | B | 0.0000 | |
| 190 | T | B | -1.9046 | |
| 191 | R | B | -2.3853 | |
| 192 | P | B | 0.0000 | |
| 193 | V | B | -1.0668 | |
| 194 | L | B | 0.0000 | |
| 195 | R | B | -1.3927 | |
| 196 | A | B | -0.7652 | |
| 197 | S | B | -0.6205 | |
| 198 | S | B | -0.4614 | |
| 199 | F | B | 0.0810 | |
| 200 | Q | B | -0.5065 | |
| 201 | P | B | 0.0000 | |
| 202 | I | B | 0.0531 | |
| 203 | S | B | -0.4558 | |
| 204 | G | B | -0.8845 | |
| 205 | N | B | -1.3438 | |
| 206 | P | B | -1.0936 | |
| 207 | V | B | 0.0000 | |
| 208 | T | B | -1.0062 | |
| 209 | L | B | 0.0000 | |
| 210 | T | B | -1.3993 | |
| 211 | C | B | 0.0000 | |
| 212 | E | B | -2.2542 | |
| 213 | T | B | -1.5982 | |
| 214 | Q | B | -1.5562 | |
| 215 | L | B | -1.0082 | |
| 216 | S | B | -0.9244 | |
| 217 | L | B | -0.4683 | |
| 218 | E | B | -0.8697 | |
| 219 | R | B | -1.1635 | |
| 220 | S | B | -1.0851 | |
| 221 | D | B | -1.9596 | |
| 222 | V | B | -0.7735 | |
| 223 | P | B | -0.4426 | |
| 224 | L | B | 0.0634 | |
| 225 | R | B | 0.0000 | |
| 226 | F | B | 0.0000 | |
| 227 | R | B | 0.0000 | |
| 228 | F | B | 0.0000 | |
| 229 | F | B | 0.0000 | |
| 230 | R | B | -1.3549 | |
| 231 | D | B | -2.1070 | |
| 232 | D | B | -2.6373 | |
| 233 | Q | B | -2.2127 | |
| 234 | T | B | 0.0000 | |
| 235 | L | B | 0.0000 | |
| 236 | G | B | -0.5164 | |
| 237 | L | B | 0.0000 | |
| 238 | G | B | -0.2191 | |
| 239 | W | B | 0.0000 | |
| 240 | S | B | -0.0859 | |
| 241 | L | B | 0.2672 | |
| 242 | S | B | -0.2400 | |
| 243 | P | B | -0.8356 | |
| 244 | N | B | -1.6610 | |
| 245 | F | B | -1.0180 | |
| 246 | Q | B | -1.4850 | |
| 247 | I | B | 0.0000 | |
| 248 | T | B | -1.2779 | |
| 249 | A | B | -1.3597 | |
| 250 | M | B | 0.0000 | |
| 251 | W | B | -0.7219 | |
| 252 | S | B | -0.8786 | |
| 253 | K | B | -2.0108 | |
| 254 | D | B | -1.0405 | |
| 255 | S | B | -0.7157 | |
| 256 | G | B | 0.0000 | |
| 257 | F | B | 0.2560 | |
| 258 | Y | B | 0.0000 | |
| 259 | W | B | 0.0000 | |
| 260 | C | B | 0.0000 | |
| 261 | K | B | -0.4505 | |
| 262 | A | B | 0.0000 | |
| 263 | A | B | 0.0000 | |
| 264 | T | B | 0.0000 | |
| 265 | M | B | 0.2744 | |
| 266 | P | B | -0.1929 | |
| 267 | Y | B | 0.8270 | |
| 268 | S | B | 0.7325 | |
| 269 | V | B | 0.0000 | |
| 270 | I | B | 0.8848 | |
| 271 | S | B | -0.3767 | |
| 272 | D | B | -0.7933 | |
| 273 | S | B | 0.0000 | |
| 274 | P | B | -0.9426 | |
| 275 | R | B | -1.0543 | |
| 276 | S | B | -0.0661 | |
| 277 | W | B | 0.8391 | |
| 278 | I | B | 0.0000 | |
| 279 | Q | B | -0.4355 | |
| 280 | V | B | 0.0000 | |
| 281 | Q | B | -0.1054 | |
| 282 | I | B | 0.5031 | |
| 283 | P | B | -0.1945 | |
| 284 | A | B | 0.0000 | |
| 285 | S | B | -1.1579 | |
| 286 | H | B | -1.4280 | |
| 287 | P | B | 0.0000 | |
| 288 | V | B | 1.0039 | |
| 289 | L | B | 0.5559 | |
| 290 | T | B | 0.0059 | |
| 291 | L | B | -0.7761 | |
| 292 | S | B | -1.4465 | |
| 293 | P | B | -1.6355 | |
| 294 | E | B | -2.5096 | |
| 295 | K | B | -2.2303 | |
| 296 | A | B | -0.9533 | |
| 297 | L | B | 0.6383 | |
| 298 | N | B | -0.0771 | |
| 299 | F | B | 0.0473 | |
| 300 | E | B | -1.2259 | |
| 301 | G | B | -1.1323 | |
| 302 | T | B | -0.9391 | |
| 303 | K | B | -1.9640 | |
| 304 | V | B | 0.0000 | |
| 305 | T | B | -0.7259 | |
| 306 | L | B | 0.0000 | |
| 307 | H | B | 0.0370 | |
| 308 | C | B | 0.0000 | |
| 309 | E | B | -0.6682 | |
| 310 | T | B | 0.0000 | |
| 311 | Q | B | -2.2532 | |
| 312 | E | B | -2.7546 | |
| 313 | D | B | -2.0192 | |
| 314 | S | B | -0.9388 | |
| 315 | L | B | 0.2524 | |
| 316 | R | B | -1.1018 | |
| 317 | T | B | 0.0000 | |
| 318 | L | B | 0.2531 | |
| 319 | Y | B | 0.0000 | |
| 320 | R | B | -1.5022 | |
| 321 | F | B | 0.0000 | |
| 322 | Y | B | -0.4925 | |
| 323 | H | B | -0.6385 | |
| 324 | E | B | -1.7499 | |
| 325 | G | B | -0.5170 | |
| 326 | V | B | 0.8392 | |
| 327 | P | B | -0.2441 | |
| 328 | L | B | -1.1802 | |
| 329 | R | B | -2.4777 | |
| 330 | H | B | -2.4068 | |
| 331 | K | B | -2.4350 | |
| 332 | S | B | -1.1085 | |
| 333 | V | B | 0.1246 | |
| 334 | R | B | -0.7613 | |
| 335 | C | B | -0.9467 | |
| 336 | E | B | -1.9561 | |
| 337 | R | B | -2.1116 | |
| 338 | G | B | 0.0000 | |
| 339 | A | B | 0.0000 | |
| 340 | S | B | -0.4736 | |
| 341 | I | B | 0.0000 | |
| 342 | S | B | -0.6767 | |
| 343 | F | B | -0.5876 | |
| 344 | S | B | -1.0527 | |
| 345 | L | B | 0.0000 | |
| 346 | T | B | -1.3227 | |
| 347 | T | B | -1.2254 | |
| 348 | E | B | -1.9752 | |
| 349 | N | B | -1.6287 | |
| 350 | S | B | -1.3978 | |
| 351 | G | B | -1.2812 | |
| 352 | N | B | -1.5589 | |
| 353 | Y | B | 0.0000 | |
| 354 | Y | B | -0.3490 | |
| 355 | C | B | 0.0000 | |
| 356 | T | B | 0.0000 | |
| 357 | A | B | 0.0000 | |
| 358 | D | B | -1.0173 | |
| 359 | N | B | -0.9805 | |
| 360 | G | B | -0.7742 | |
| 361 | L | B | -0.0429 | |
| 362 | G | B | -0.6078 | |
| 363 | A | B | -0.7868 | |
| 364 | K | B | -1.1584 | |
| 365 | P | B | -0.9729 | |
| 366 | S | B | -0.6321 | |
| 367 | K | B | -1.3742 | |
| 368 | A | B | -0.7549 | |
| 369 | V | B | -0.1064 | |
| 370 | S | B | -0.7199 | |
| 371 | L | B | 0.0000 | |
| 372 | S | B | -0.2597 | |
| 373 | V | B | -0.3012 | |
| 374 | T | B | 0.1790 | |
| 375 | V | B | -0.3354 | |
| 376 | P | B | -0.5130 | |
| 377 | V | B | 0.0000 | |
| 378 | S | B | -1.6085 | |
| 379 | H | B | -2.1327 | |
| 380 | P | B | 0.0000 | |
| 381 | V | B | -0.2093 | |
| 382 | L | B | 0.0000 | |
| 383 | N | B | -1.1057 | |
| 384 | L | B | -0.4651 | |
| 385 | S | B | -0.9204 | |
| 386 | S | B | -0.9680 | |
| 387 | P | B | -1.1158 | |
| 388 | E | B | -1.3175 | |
| 389 | D | B | -1.6096 | |
| 390 | L | B | -0.1282 | |
| 391 | I | B | -0.0158 | |
| 392 | F | B | 0.1632 | |
| 393 | E | B | -0.6352 | |
| 394 | G | B | -0.6475 | |
| 395 | A | B | 0.0000 | |
| 396 | K | B | -1.7008 | |
| 397 | V | B | 0.0000 | |
| 398 | T | B | -0.6758 | |
| 399 | L | B | 0.0000 | |
| 400 | H | B | -0.5778 | |
| 401 | C | B | 0.0000 | |
| 402 | E | B | -1.0518 | |
| 403 | A | B | 0.0000 | |
| 404 | Q | B | -2.0890 | |
| 405 | R | B | -2.1868 | |
| 406 | G | B | -0.9723 | |
| 407 | S | B | -0.1385 | |
| 408 | L | B | 0.1390 | |
| 409 | P | B | -0.2646 | |
| 410 | I | B | 0.0000 | |
| 411 | L | B | -0.6617 | |
| 412 | Y | B | 0.0000 | |
| 413 | Q | B | -1.5761 | |
| 414 | F | B | 0.0000 | |
| 415 | H | B | -1.0327 | |
| 416 | H | B | -1.4854 | |
| 417 | E | B | -2.3402 | |
| 418 | G | B | -1.4011 | |
| 419 | A | B | -0.6476 | |
| 420 | A | B | -0.6597 | |
| 421 | L | B | -0.7624 | |
| 422 | E | B | -2.2536 | |
| 423 | R | B | -2.7251 | |
| 424 | R | B | -2.8660 | |
| 425 | S | B | -1.4724 | |
| 426 | A | B | 0.0000 | |
| 427 | N | B | -1.3665 | |
| 428 | S | B | -0.7382 | |
| 429 | A | B | -0.8462 | |
| 430 | G | B | -0.8782 | |
| 431 | G | B | -0.8356 | |
| 432 | V | B | -0.8047 | |
| 433 | A | B | -0.6863 | |
| 434 | I | B | 0.0000 | |
| 435 | S | B | -0.4572 | |
| 436 | F | B | -0.3703 | |
| 437 | S | B | -0.7880 | |
| 438 | L | B | 0.0000 | |
| 439 | T | B | -0.9750 | |
| 440 | A | B | -1.2202 | |
| 441 | E | B | -2.0470 | |
| 442 | H | B | -1.5630 | |
| 443 | S | B | -1.3236 | |
| 444 | G | B | -1.3911 | |
| 445 | N | B | -1.6867 | |
| 446 | Y | B | 0.0000 | |
| 447 | Y | B | -1.1742 | |
| 448 | C | B | 0.0000 | |
| 449 | T | B | 0.0000 | |
| 450 | A | B | 0.0000 | |
| 451 | D | B | -0.7714 | |
| 452 | N | B | -0.2305 | |
| 453 | G | B | -0.3159 | |
| 454 | F | B | 0.1014 | |
| 455 | G | B | -0.5440 | |
| 456 | P | B | -1.1114 | |
| 457 | Q | B | -1.6451 | |
| 458 | R | B | -2.5040 | |
| 459 | S | B | 0.0000 | |
| 460 | K | B | -2.0750 | |
| 461 | A | B | -1.3230 | |
| 462 | V | B | -0.4613 | |
| 463 | S | B | -0.7756 | |
| 464 | L | B | 0.0000 | |
| 465 | S | B | -0.4535 | |
| 466 | V | B | 0.0000 | |
| 467 | T | B | 0.1446 | |
| 468 | V | B | 0.0000 | |
| 469 | P | B | -0.6219 | |
| 470 | V | B | 0.0000 | |
| 471 | S | B | -1.6280 | |
| 472 | H | B | -2.2546 | |
| 473 | P | B | 0.0000 | |
| 474 | V | B | -0.9260 | |
| 475 | L | B | 0.0000 | |
| 476 | T | B | 0.0670 | |
| 477 | L | B | 0.3546 | |
| 478 | S | B | -0.0734 | |
| 479 | S | B | -0.0709 | |
| 480 | A | B | -0.2046 | |
| 481 | E | B | -0.3015 | |
| 482 | A | B | 0.1333 | |
| 483 | L | B | 0.8157 | |
| 484 | T | B | 0.6780 | |
| 485 | F | B | 0.3156 | |
| 486 | E | B | -0.7216 | |
| 487 | G | B | -0.8138 | |
| 488 | A | B | 0.0000 | |
| 489 | T | B | -0.3377 | |
| 490 | V | B | 0.0000 | |
| 491 | T | B | 0.0211 | |
| 492 | L | B | 0.0000 | |
| 493 | H | B | -0.6783 | |
| 494 | C | B | 0.0000 | |
| 495 | E | B | -2.1982 | |
| 496 | V | B | 0.0000 | |
| 497 | Q | B | -2.3014 | |
| 498 | R | B | -2.1317 | |
| 499 | G | B | -1.3013 | |
| 500 | S | B | -0.7790 | |
| 501 | P | B | -1.0004 | |
| 502 | Q | B | -1.4636 | |
| 503 | I | B | 0.0000 | |
| 504 | L | B | -0.3297 | |
| 505 | Y | B | 0.0000 | |
| 506 | Q | B | -0.2947 | |
| 507 | F | B | 0.0000 | |
| 508 | Y | B | -0.5797 | |
| 509 | H | B | 0.0000 | |
| 510 | E | B | -2.5220 | |
| 511 | D | B | -2.3535 | |
| 512 | M | B | -0.5942 | |
| 513 | P | B | -0.3090 | |
| 514 | L | B | 0.2790 | |
| 515 | W | B | 0.5854 | |
| 516 | S | B | 0.0686 | |
| 517 | S | B | -0.1590 | |
| 518 | S | B | -0.6031 | |
| 519 | T | B | -0.7258 | |
| 520 | P | B | -0.7707 | |
| 521 | S | B | -0.7306 | |
| 522 | V | B | -0.8015 | |
| 523 | G | B | -1.5678 | |
| 524 | R | B | -2.3791 | |
| 525 | V | B | 0.0000 | |
| 526 | S | B | -0.5846 | |
| 527 | F | B | 0.2960 | |
| 528 | S | B | 0.0398 | |
| 529 | F | B | 0.0331 | |
| 530 | S | B | -0.3626 | |
| 531 | L | B | 0.0000 | |
| 532 | T | B | -1.3119 | |
| 533 | E | B | -1.8904 | |
| 534 | G | B | -1.2742 | |
| 535 | H | B | -1.0280 | |
| 536 | S | B | -0.4958 | |
| 537 | G | B | -0.5588 | |
| 538 | N | B | -1.0720 | |
| 539 | Y | B | 0.0000 | |
| 540 | Y | B | 0.0000 | |
| 541 | C | B | 0.0000 | |
| 542 | T | B | 0.0000 | |
| 543 | A | B | 0.0000 | |
| 544 | D | B | -1.0268 | |
| 545 | N | B | -0.8056 | |
| 546 | G | B | -0.5437 | |
| 547 | F | B | 0.1469 | |
| 548 | G | B | -0.5344 | |
| 549 | P | B | -1.1194 | |
| 550 | Q | B | -1.6275 | |
| 551 | R | B | -2.3183 | |
| 552 | S | B | 0.0000 | |
| 553 | E | B | -1.4738 | |
| 554 | V | B | -0.0620 | |
| 555 | V | B | 0.3590 | |
| 556 | S | B | 0.4980 | |
| 557 | L | B | 0.0000 | |
| 558 | F | B | 1.5559 | |
| 559 | V | B | 0.0000 | |
| 560 | T | B | 0.2041 | |
| 561 | V | B | 0.0000 | |
| 562 | P | B | -0.2585 | |
| 563 | V | B | 0.0000 | |
| 564 | S | B | -1.1443 | |
| 565 | R | B | -1.9383 | |
| 566 | P | B | 0.0000 | |
| 567 | I | B | -0.0208 | |
| 568 | L | B | 0.0000 | |
| 569 | T | B | -0.2340 | |
| 570 | L | B | -0.7576 | |
| 571 | R | B | -1.8919 | |
| 572 | V | B | -0.7071 | |
| 573 | P | B | -0.7636 | |
| 574 | R | B | -1.1650 | |
| 575 | A | B | -0.7869 | |
| 576 | Q | B | -0.7013 | |
| 577 | A | B | 0.0000 | |
| 578 | V | B | 0.0000 | |
| 579 | V | B | 0.4194 | |
| 580 | G | B | 0.1789 | |
| 581 | D | B | 0.0000 | |
| 582 | L | B | 0.6021 | |
| 583 | L | B | 0.0000 | |
| 584 | E | B | -1.0624 | |
| 585 | L | B | 0.0000 | |
| 586 | H | B | -1.1389 | |
| 587 | C | B | 0.0000 | |
| 588 | E | B | -1.9197 | |
| 589 | A | B | 0.0000 | |
| 590 | P | B | -1.4459 | |
| 591 | R | B | -1.8951 | |
| 592 | G | B | -1.4261 | |
| 593 | S | B | -0.6721 | |
| 594 | P | B | -0.8304 | |
| 595 | P | B | -0.6971 | |
| 596 | I | B | 0.0000 | |
| 597 | L | B | -0.1512 | |
| 598 | Y | B | 0.0000 | |
| 599 | W | B | 0.1379 | |
| 600 | F | B | 0.0000 | |
| 601 | Y | B | -0.0970 | |
| 602 | H | B | -0.6715 | |
| 603 | E | B | -1.8057 | |
| 604 | D | B | -1.5857 | |
| 605 | V | B | 0.5817 | |
| 606 | T | B | 0.3979 | |
| 607 | L | B | 0.3644 | |
| 608 | G | B | 0.1887 | |
| 609 | S | B | 0.0231 | |
| 610 | S | B | -0.2624 | |
| 611 | S | B | -0.5668 | |
| 612 | A | B | 0.0000 | |
| 613 | P | B | -0.6035 | |
| 614 | S | B | -0.8156 | |
| 615 | G | B | -1.3345 | |
| 616 | G | B | -1.9005 | |
| 617 | E | B | -2.3561 | |
| 618 | A | B | 0.0000 | |
| 619 | S | B | -1.0006 | |
| 620 | F | B | -0.4326 | |
| 621 | N | B | -1.1144 | |
| 622 | L | B | -0.1738 | |
| 623 | S | B | 0.0377 | |
| 624 | L | B | 0.0000 | |
| 625 | T | B | -0.3476 | |
| 626 | A | B | -0.7031 | |
| 627 | E | B | -1.8790 | |
| 628 | H | B | -1.2211 | |
| 629 | S | B | -1.0013 | |
| 630 | G | B | -1.0740 | |
| 631 | N | B | -1.4754 | |
| 632 | Y | B | 0.0000 | |
| 633 | S | B | -0.7824 | |
| 634 | C | B | 0.0000 | |
| 635 | E | B | -0.9205 | |
| 636 | A | B | 0.0000 | |
| 637 | N | B | -0.2647 | |
| 638 | N | B | -0.2336 | |
| 639 | G | B | -0.0110 | |
| 640 | L | B | 0.8880 | |
| 641 | V | B | 1.6029 | |
| 642 | A | B | 0.1490 | |
| 643 | Q | B | -1.1240 | |
| 644 | H | B | -1.7970 | |
| 645 | S | B | -1.4911 | |
| 646 | D | B | -1.9193 | |
| 647 | T | B | -1.0200 | |
| 648 | I | B | -0.2679 | |
| 649 | S | B | -0.3503 | |
| 650 | L | B | -0.1197 | |
| 651 | S | B | -0.4550 | |
| 652 | V | B | 0.0000 | |
| 653 | I | B | 0.4460 | |
| 654 | V | B | 0.1672 | |
| 655 | P | B | -0.8448 | |
| 656 | V | B | 0.0000 | |
| 657 | S | B | -1.5588 | |
| 658 | R | B | -2.5281 | |
| 659 | P | B | 0.0000 | |
| 660 | I | B | 0.3799 | |
| 661 | L | B | 0.0000 | |
| 662 | T | B | -0.2662 | |
| 663 | F | B | -0.9545 | |
| 664 | R | B | -2.3653 | |
| 665 | A | B | -1.5422 | |
| 666 | P | B | -1.4870 | |
| 667 | R | B | -2.2467 | |
| 668 | A | B | -1.3832 | |
| 669 | Q | B | -1.4190 | |
| 670 | A | B | 0.0000 | |
| 671 | V | B | 0.0000 | |
| 672 | V | B | 0.0205 | |
| 673 | G | B | 0.0230 | |
| 674 | D | B | 0.0000 | |
| 675 | L | B | 0.0688 | |
| 676 | L | B | 0.0000 | |
| 677 | E | B | -1.8562 | |
| 678 | L | B | 0.0000 | |
| 679 | H | B | -0.9355 | |
| 680 | C | B | 0.0000 | |
| 681 | E | B | -0.7565 | |
| 682 | A | B | 0.0000 | |
| 683 | L | B | 0.2038 | |
| 684 | R | B | -1.6023 | |
| 685 | G | B | -0.9460 | |
| 686 | S | B | -0.6232 | |
| 687 | S | B | -0.8209 | |
| 688 | P | B | -0.7632 | |
| 689 | I | B | 0.0000 | |
| 690 | L | B | -0.3592 | |
| 691 | Y | B | 0.0000 | |
| 692 | W | B | -0.4417 | |
| 693 | F | B | 0.0000 | |
| 694 | Y | B | 0.0473 | |
| 695 | H | B | -0.0952 | |
| 696 | E | B | -0.9676 | |
| 697 | D | B | -1.2969 | |
| 698 | V | B | 0.6661 | |
| 699 | T | B | 0.2110 | |
| 700 | L | B | 0.2411 | |
| 701 | G | B | -0.2613 | |
| 702 | K | B | -1.2389 | |
| 703 | I | B | -0.2096 | |
| 704 | S | B | -0.4335 | |
| 705 | A | B | 0.0000 | |
| 706 | P | B | -0.5658 | |
| 707 | S | B | -0.6399 | |
| 708 | G | B | -0.8369 | |
| 709 | G | B | -0.8272 | |
| 710 | G | B | -0.3429 | |
| 711 | A | B | 0.0000 | |
| 712 | S | B | -1.0785 | |
| 713 | F | B | -0.7970 | |
| 714 | N | B | -1.5021 | |
| 715 | L | B | -0.4513 | |
| 716 | S | B | -0.1470 | |
| 717 | L | B | 0.0000 | |
| 718 | T | B | -0.5227 | |
| 719 | T | B | -1.1293 | |
| 720 | E | B | -2.0781 | |
| 721 | H | B | -1.3771 | |
| 722 | S | B | -1.3716 | |
| 723 | G | B | -0.6887 | |
| 724 | I | B | -0.1215 | |
| 725 | Y | B | 0.0000 | |
| 726 | S | B | 0.0000 | |
| 727 | C | B | 0.0000 | |
| 728 | E | B | -1.5168 | |
| 729 | A | B | 0.0000 | |
| 730 | D | B | -1.3945 | |
| 731 | N | B | -0.8744 | |
| 732 | G | B | -0.8974 | |
| 733 | L | B | -0.9413 | |
| 734 | E | B | -1.9339 | |
| 735 | A | B | -1.7056 | |
| 736 | Q | B | -2.3412 | |
| 737 | R | B | -2.2871 | |
| 738 | S | B | 0.0000 | |
| 739 | E | B | -1.5082 | |
| 740 | M | B | 0.3482 | |
| 741 | V | B | 0.6296 | |
| 742 | T | B | 0.0827 | |
| 743 | L | B | 0.0000 | |
| 744 | K | B | -1.9308 | |
| 745 | V | B | 0.0000 | |
| 746 | A | B | -0.3839 | |
| 747 | V | B | -0.2505 | |
| 748 | P | B | -0.5753 | |
| 749 | V | B | 0.0000 | |
| 750 | S | B | -1.3209 | |
| 751 | R | B | -2.4162 | |
| 752 | P | B | 0.0000 | |
| 753 | V | B | 0.1968 | |
| 754 | L | B | 0.0000 | |
| 755 | T | B | -0.4328 | |
| 756 | L | B | -0.8056 | |
| 757 | R | B | -2.0197 | |
| 758 | A | B | -1.1769 | |
| 759 | P | B | -0.9557 | |
| 760 | G | B | -1.1893 | |
| 761 | T | B | -1.0119 | |
| 762 | H | B | -0.9538 | |
| 763 | A | B | 0.0000 | |
| 764 | A | B | 0.6042 | |
| 765 | V | B | 1.2908 | |
| 766 | G | B | 0.4275 | |
| 767 | D | B | 0.1649 | |
| 768 | L | B | 0.2168 | |
| 769 | L | B | 0.0000 | |
| 770 | E | B | -1.3144 | |
| 771 | L | B | 0.0000 | |
| 772 | H | B | -0.7045 | |
| 773 | C | B | 0.0000 | |
| 774 | E | B | -0.5208 | |
| 775 | A | B | 0.0000 | |
| 776 | L | B | 0.3618 | |
| 777 | R | B | -1.3500 | |
| 778 | G | B | -0.6526 | |
| 779 | S | B | -0.2682 | |
| 780 | P | B | 0.0884 | |
| 781 | L | B | 0.9181 | |
| 782 | I | B | 0.0000 | |
| 783 | L | B | -0.4307 | |
| 784 | Y | B | 0.0000 | |
| 785 | R | B | -1.5004 | |
| 786 | F | B | 0.0000 | |
| 787 | F | B | -0.6846 | |
| 788 | H | B | -0.9880 | |
| 789 | E | B | -2.3260 | |
| 790 | D | B | -1.8279 | |
| 791 | V | B | 0.4270 | |
| 792 | T | B | 0.0034 | |
| 793 | L | B | 0.0317 | |
| 794 | G | B | -0.7923 | |
| 795 | N | B | -2.0043 | |
| 796 | R | B | -2.1595 | |
| 797 | S | B | -0.9713 | |
| 798 | S | B | -0.4445 | |
| 799 | P | B | -0.0830 | |
| 800 | S | B | -0.5194 | |
| 801 | G | B | -0.7047 | |
| 802 | G | B | -0.4855 | |
| 803 | A | B | 0.0000 | |
| 804 | S | B | -0.9775 | |
| 805 | L | B | -0.9628 | |
| 806 | N | B | -1.2292 | |
| 807 | L | B | -0.3131 | |
| 808 | S | B | -0.0169 | |
| 809 | L | B | 0.0000 | |
| 810 | T | B | -0.1171 | |
| 811 | A | B | -0.3784 | |
| 812 | E | B | -1.6868 | |
| 813 | H | B | -0.9052 | |
| 814 | S | B | -0.3826 | |
| 815 | G | B | -0.7428 | |
| 816 | N | B | -1.3944 | |
| 817 | Y | B | 0.0000 | |
| 818 | S | B | 0.0000 | |
| 819 | C | B | 0.0000 | |
| 820 | E | B | -1.5290 | |
| 821 | A | B | 0.0000 | |
| 822 | D | B | -0.8133 | |
| 823 | N | B | -0.1255 | |
| 824 | G | B | -0.2696 | |
| 825 | L | B | -0.0620 | |
| 826 | G | B | -0.4898 | |
| 827 | A | B | -1.0531 | |
| 828 | Q | B | -1.7485 | |
| 829 | R | B | -2.0208 | |
| 830 | S | B | 0.0000 | |
| 831 | E | B | -2.0547 | |
| 832 | T | B | -1.0667 | |
| 833 | V | B | -0.0556 | |
| 834 | T | B | 0.0639 | |
| 835 | L | B | 0.6048 | |
| 836 | Y | B | 1.1351 | |
| 837 | I | B | 0.6661 | |
| 838 | T | B | 0.5636 | |
| 839 | G | B | 0.6916 | |
| 840 | L | B | 1.2978 | |
| 841 | T | B | 0.3364 | |
| 842 | A | B | -0.6900 | |
| 843 | N | B | -2.2037 | |
| 844 | R | B | -2.6666 | |
| 845 | S | B | -1.7393 | |
| 846 | G | B | -0.6230 | |
| 847 | P | B | 0.4415 | |
| 848 | F | B | 1.7172 | |
| 849 | A | B | 0.8716 | |
| 850 | T | B | 0.5556 | |
| 851 | G | B | 0.4466 | |
| 852 | V | B | 1.4434 | |
| 853 | A | B | 0.5157 | |
| 854 | G | B | 0.0252 | |
| 855 | G | B | 0.3512 | |
| 856 | L | B | 1.9331 | |
| 857 | L | B | 2.5756 | |
| 858 | S | B | 2.0796 | |
| 859 | I | B | 2.1841 | |
| 860 | A | B | 1.0973 | |
| 861 | G | B | 0.8090 | |
| 862 | L | B | 1.3762 | |
| 863 | A | B | 0.7250 | |
| 864 | A | B | 0.2227 | |
| 865 | G | B | -0.0339 | |
| 866 | A | B | 0.9159 | |
| 867 | L | B | 2.8140 | |
| 868 | L | B | 3.4933 | |
| 869 | L | B | 3.6629 | |
| 870 | Y | B | 3.2939 | |
| 871 | C | B | 2.7621 | |
| 872 | W | B | 2.7825 | |
| 873 | L | B | 1.5748 | |
| 874 | S | B | -0.2967 | |
| 875 | R | B | -2.4337 | |
| 876 | K | B | -2.5855 | |
| 877 | A | B | -2.0865 | |
| 878 | G | B | -2.3434 | |
| 879 | R | B | -3.0586 | |
| 880 | K | B | -2.9329 | |
| 881 | P | B | -1.7430 | |
| 882 | A | B | -0.9875 | |
| 883 | S | B | -1.3085 | |
| 884 | D | B | -2.0315 | |
| 885 | P | B | -1.5315 | |
| 886 | A | B | -1.4045 | |
| 887 | R | B | -2.0453 | |
| 888 | S | B | -1.3843 | |
| 889 | P | B | -1.2588 | |
| 890 | S | B | -1.3056 | |
| 891 | D | B | -2.4427 | |
| 892 | S | B | -2.1741 | |
| 893 | D | B | -2.6625 | |
| 894 | S | B | -2.1985 | |
| 895 | Q | B | -2.6731 | |
| 896 | E | B | -2.4545 | |
| 897 | P | B | -1.3936 | |
| 898 | T | B | -0.5203 | |
| 899 | Y | B | 0.4332 | |
| 900 | H | B | -0.5771 | |
| 901 | N | B | -0.6274 | |
| 902 | V | B | 1.0711 | |
| 903 | P | B | 0.2419 | |
| 904 | A | B | 0.0659 | |
| 905 | W | B | 0.2294 | |
| 906 | E | B | -1.8741 | |
| 907 | E | B | -2.0195 | |
| 908 | L | B | -0.1048 | |
| 909 | Q | B | -0.6664 | |
| 910 | P | B | 0.5637 | |
| 911 | V | B | 1.9967 | |
| 912 | Y | B | 1.6191 | |
| 913 | T | B | 0.2861 | |
| 914 | N | B | -1.1196 | |
| 915 | A | B | -1.3178 | |
| 916 | N | B | -2.2396 | |
| 917 | P | B | -2.2481 | |
| 918 | R | B | -2.9593 | |
| 919 | G | B | -2.5102 | |
| 920 | E | B | -2.4865 | |
| 921 | N | B | -0.7608 | |
| 922 | V | B | 1.7960 | |
| 923 | V | B | 2.4438 | |
| 924 | Y | B | 2.1337 | |
| 925 | S | B | 0.4925 | |
| 926 | E | B | -0.7846 | |
| 927 | V | B | 0.8892 | |
| 928 | R | B | -0.1082 | |
| 929 | I | B | 1.8085 | |
| 930 | I | B | 1.4075 | |
| 931 | Q | B | -1.4375 | |
| 932 | E | B | -3.1260 | |
| 933 | K | B | -4.0566 | |
| 934 | K | B | -4.2751 | |
| 935 | K | B | -3.4576 | |
| 936 | H | B | -1.9783 | |
| 937 | A | B | -0.2319 | |
| 938 | V | B | 1.3073 | |
| 939 | A | B | 0.3377 | |
| 940 | S | B | -1.0214 | |
| 941 | D | B | -2.5640 | |
| 942 | P | B | -2.1312 | |
| 943 | R | B | -2.5894 | |
| 944 | H | B | -1.7168 | |
| 945 | L | B | -0.8166 | |
| 946 | R | B | -2.3022 | |
| 947 | N | B | -2.8082 | |
| 948 | K | B | -2.8838 | |
| 949 | G | B | -1.7256 | |
| 950 | S | B | -0.3893 | |
| 951 | P | B | 1.0121 | |
| 952 | I | B | 3.0759 | |
| 953 | I | B | 3.2612 | |
| 954 | Y | B | 2.4188 | |
| 955 | S | B | 0.6006 | |
| 956 | E | B | -0.7029 | |
| 957 | V | B | 0.6698 | |
| 958 | K | B | -0.5056 | |
| 959 | V | B | 1.1724 | |
| 960 | A | B | 0.5180 | |
| 961 | S | B | 0.2057 | |
| 962 | T | B | 0.3747 | |
| 963 | P | B | 0.4075 | |
| 964 | V | B | 1.3498 | |
| 965 | S | B | 0.4577 | |
| 966 | G | B | 0.3953 | |
| 967 | S | B | 0.9299 | |
| 968 | L | B | 2.7594 | |
| 969 | F | B | 3.4857 | |
| 970 | L | B | 2.8643 | |
| 971 | A | B | 1.0509 | |
| 972 | S | B | 0.0406 | |
| 973 | S | B | -0.4472 | |
| 974 | A | B | -0.6317 | |
| 975 | P | B | -1.1810 | |
| 976 | H | B | -2.0223 | |
| 977 | R | B | -2.3753 |
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 | -0.3486 | 6.9835 | View | CSV | PDB |
| 4.5 | -0.4058 | 6.9835 | View | CSV | PDB |
| 5.0 | -0.4782 | 6.9835 | View | CSV | PDB |
| 5.5 | -0.5511 | 6.9835 | View | CSV | PDB |
| 6.0 | -0.6091 | 6.9835 | View | CSV | PDB |
| 6.5 | -0.6415 | 6.9835 | View | CSV | PDB |
| 7.0 | -0.6486 | 6.9835 | View | CSV | PDB |
| 7.5 | -0.6395 | 6.9835 | View | CSV | PDB |
| 8.0 | -0.6226 | 6.9835 | View | CSV | PDB |
| 8.5 | -0.6011 | 6.9835 | View | CSV | PDB |
| 9.0 | -0.5749 | 6.9835 | 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