| Chain sequence(s) |
A: SPEAVLAEIHAIIDASEAEARELVLAGDLEGAIAVWEERLDRILALIAANPELTPEQRAEIAARDGAANQALYQLKVEVE
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. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:10:41)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/54558d6cc88f05a/tmp/folded.pdb (00:10:41)
[INFO] Main: Simulation completed successfully. (00:24:42)
|
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 | -0.9858 | |
| 2 | P | A | -1.5072 | |
| 3 | E | A | -1.9731 | |
| 4 | A | A | -1.1312 | |
| 5 | V | A | -0.9667 | |
| 6 | L | A | -1.1594 | |
| 7 | A | A | -0.9852 | |
| 8 | E | A | -1.4972 | |
| 9 | I | A | 0.0000 | |
| 10 | H | A | -1.1210 | |
| 11 | A | A | -0.7013 | |
| 12 | I | A | -0.7603 | |
| 13 | I | A | 0.0000 | |
| 14 | D | A | -1.5414 | |
| 15 | A | A | -1.0196 | |
| 16 | S | A | -1.6716 | |
| 17 | E | A | -1.8220 | |
| 18 | A | A | -2.1100 | |
| 19 | E | A | -2.8429 | |
| 20 | A | A | 0.0000 | |
| 21 | R | A | -2.6274 | |
| 22 | E | A | -2.7067 | |
| 23 | L | A | -1.6133 | |
| 24 | V | A | 0.0000 | |
| 25 | L | A | 0.1302 | |
| 26 | A | A | -0.2720 | |
| 27 | G | A | -1.0251 | |
| 28 | D | A | -1.6082 | |
| 29 | L | A | -1.2199 | |
| 30 | E | A | -1.7371 | |
| 31 | G | A | -1.2588 | |
| 32 | A | A | 0.0000 | |
| 33 | I | A | -0.1140 | |
| 34 | A | A | -0.5591 | |
| 35 | V | A | -0.8612 | |
| 36 | W | A | 0.0000 | |
| 37 | E | A | -1.7451 | |
| 38 | E | A | -2.9161 | |
| 39 | R | A | 0.0000 | |
| 40 | L | A | 0.0000 | |
| 41 | D | A | -3.3516 | |
| 42 | R | A | -3.0992 | |
| 43 | I | A | 0.0000 | |
| 44 | L | A | 0.0000 | |
| 45 | A | A | -0.8946 | |
| 46 | L | A | -0.5885 | |
| 47 | I | A | 0.0000 | |
| 48 | A | A | -0.4448 | |
| 49 | A | A | -0.1388 | |
| 50 | N | A | -0.6699 | |
| 51 | P | A | -1.3000 | |
| 52 | E | A | -1.5887 | |
| 53 | L | A | 0.0000 | |
| 54 | T | A | -1.5629 | |
| 55 | P | A | -2.1895 | |
| 56 | E | A | -2.5675 | |
| 57 | Q | A | -2.2527 | |
| 58 | R | A | -1.8932 | |
| 59 | A | A | -1.8975 | |
| 60 | E | A | -2.7579 | |
| 61 | I | A | 0.0000 | |
| 62 | A | A | -1.3510 | |
| 63 | A | A | -1.3977 | |
| 64 | R | A | -1.8439 | |
| 65 | D | A | 0.0000 | |
| 66 | G | A | -0.9883 | |
| 67 | A | A | -0.7022 | |
| 68 | A | A | 0.0000 | |
| 69 | N | A | 0.0000 | |
| 70 | Q | A | -0.5833 | |
| 71 | A | A | -0.3797 | |
| 72 | L | A | 0.0000 | |
| 73 | Y | A | -0.3685 | |
| 74 | Q | A | -0.6293 | |
| 75 | L | A | -0.5013 | |
| 76 | K | A | -0.6769 | |
| 77 | V | A | -0.7740 | |
| 78 | E | A | -1.4076 | |
| 79 | V | A | -0.0188 | |
| 80 | E | A | -1.6440 | |
| 1 | M | B | 2.3979 | |
| 2 | L | B | 3.3971 | |
| 3 | L | B | 4.0200 | |
| 4 | W | B | 4.2379 | |
| 5 | V | B | 4.7443 | |
| 6 | I | B | 4.9797 | |
| 7 | L | B | 4.8285 | |
| 8 | L | B | 4.6019 | |
| 9 | V | B | 4.0802 | |
| 10 | L | B | 3.4484 | |
| 11 | A | B | 2.0140 | |
| 12 | P | B | 1.2510 | |
| 13 | V | B | 1.5056 | |
| 14 | S | B | 0.2892 | |
| 15 | G | B | 0.0072 | |
| 16 | Q | B | -0.5770 | |
| 17 | F | B | 0.6039 | |
| 18 | A | B | -0.3638 | |
| 19 | R | B | -1.6210 | |
| 20 | T | B | -0.9359 | |
| 21 | P | B | -0.7853 | |
| 22 | R | B | -1.1344 | |
| 23 | P | B | 0.0000 | |
| 24 | I | B | -0.2379 | |
| 25 | I | B | 0.0000 | |
| 26 | F | B | 0.3261 | |
| 27 | L | B | 0.0000 | |
| 28 | Q | B | -1.5447 | |
| 29 | P | B | -1.0642 | |
| 30 | P | B | -0.3633 | |
| 31 | W | B | 0.0000 | |
| 32 | T | B | -0.6211 | |
| 33 | T | B | 0.0000 | |
| 34 | V | B | 0.0000 | |
| 35 | F | B | -1.4568 | |
| 36 | Q | B | -2.2302 | |
| 37 | G | B | -1.8653 | |
| 38 | E | B | -2.0447 | |
| 39 | R | B | -2.9332 | |
| 40 | V | B | 0.0000 | |
| 41 | T | B | -1.1373 | |
| 42 | L | B | 0.0000 | |
| 43 | T | B | -0.2599 | |
| 44 | C | B | 0.0000 | |
| 45 | K | B | -0.7171 | |
| 46 | G | B | -0.1350 | |
| 47 | F | B | 1.2815 | |
| 48 | R | B | 0.0748 | |
| 49 | F | B | 1.6254 | |
| 50 | Y | B | 1.4600 | |
| 51 | S | B | 0.2503 | |
| 52 | P | B | -0.5431 | |
| 53 | Q | B | -1.4785 | |
| 54 | K | B | -3.0237 | |
| 55 | T | B | 0.0000 | |
| 56 | K | B | -2.0972 | |
| 57 | W | B | 0.0000 | |
| 58 | Y | B | -0.6596 | |
| 59 | H | B | 0.0000 | |
| 60 | R | B | -1.8190 | |
| 61 | Y | B | -0.3387 | |
| 62 | L | B | 0.6350 | |
| 63 | G | B | -0.9805 | |
| 64 | K | B | -2.3604 | |
| 65 | E | B | -2.4058 | |
| 66 | I | B | -0.6303 | |
| 67 | L | B | -0.1692 | |
| 68 | R | B | -1.0857 | |
| 69 | E | B | -2.5117 | |
| 70 | T | B | -1.9924 | |
| 71 | P | B | -1.7429 | |
| 72 | D | B | -1.6271 | |
| 73 | N | B | -1.3020 | |
| 74 | I | B | -0.2208 | |
| 75 | L | B | -0.6075 | |
| 76 | E | B | -1.7747 | |
| 77 | V | B | 0.0000 | |
| 78 | Q | B | -2.3173 | |
| 79 | E | B | -1.7569 | |
| 80 | S | B | -1.2168 | |
| 81 | G | B | -1.1902 | |
| 82 | E | B | 0.0000 | |
| 83 | Y | B | 0.0000 | |
| 84 | R | B | -0.7289 | |
| 85 | C | B | 0.0000 | |
| 86 | Q | B | -1.6528 | |
| 87 | A | B | -1.6490 | |
| 88 | Q | B | -1.8480 | |
| 89 | G | B | -1.0804 | |
| 90 | S | B | 0.0000 | |
| 91 | P | B | -0.8757 | |
| 92 | L | B | -0.4456 | |
| 93 | S | B | 0.0000 | |
| 94 | S | B | -0.5980 | |
| 95 | P | B | -0.6604 | |
| 96 | V | B | 0.0000 | |
| 97 | H | B | -1.4335 | |
| 98 | L | B | 0.0000 | |
| 99 | D | B | -2.1691 | |
| 100 | F | B | 0.0000 | |
| 101 | S | B | -1.1697 | |
| 102 | S | B | -0.7983 | |
| 103 | A | B | -0.4369 | |
| 104 | S | B | -0.6564 | |
| 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 | 0.1919 | |
| 111 | L | B | 0.3085 | |
| 112 | S | B | -0.0965 | |
| 113 | V | B | 0.0000 | |
| 114 | F | B | 0.0000 | |
| 115 | E | B | -1.3559 | |
| 116 | G | B | -0.9268 | |
| 117 | D | B | -1.0856 | |
| 118 | S | B | -0.9422 | |
| 119 | V | B | 0.0000 | |
| 120 | V | B | -0.0309 | |
| 121 | L | B | 0.0000 | |
| 122 | R | B | -0.9785 | |
| 123 | C | B | 0.0000 | |
| 124 | R | B | -1.0295 | |
| 125 | A | B | -0.7532 | |
| 126 | K | B | -1.2949 | |
| 127 | A | B | -1.1020 | |
| 128 | E | B | -1.5680 | |
| 129 | V | B | 0.0000 | |
| 130 | T | B | -1.1471 | |
| 131 | L | B | -1.6242 | |
| 132 | N | B | -1.3211 | |
| 133 | N | B | 0.0000 | |
| 134 | T | B | 0.0000 | |
| 135 | I | B | 0.0000 | |
| 136 | Y | B | -0.5071 | |
| 137 | K | B | -1.7034 | |
| 138 | N | B | -2.7083 | |
| 139 | D | B | -2.8221 | |
| 140 | N | B | -1.9881 | |
| 141 | V | B | 0.2952 | |
| 142 | L | B | 0.7808 | |
| 143 | A | B | 1.3353 | |
| 144 | F | B | 1.3934 | |
| 145 | L | B | -0.6470 | |
| 146 | N | B | -2.1840 | |
| 147 | K | B | -3.0234 | |
| 148 | R | B | -2.9472 | |
| 149 | T | B | -1.8291 | |
| 150 | D | B | -1.1622 | |
| 151 | F | B | -0.1217 | |
| 152 | H | B | -0.7050 | |
| 153 | I | B | 0.0000 | |
| 154 | P | B | -0.9722 | |
| 155 | H | B | -1.4993 | |
| 156 | A | B | 0.0000 | |
| 157 | C | B | -0.6590 | |
| 158 | L | B | 0.0984 | |
| 159 | K | B | -1.1412 | |
| 160 | D | B | 0.0000 | |
| 161 | N | B | -1.3759 | |
| 162 | G | B | -1.6985 | |
| 163 | A | B | -2.0011 | |
| 164 | Y | B | 0.0000 | |
| 165 | R | B | -1.2243 | |
| 166 | C | B | 0.0000 | |
| 167 | T | B | 0.0724 | |
| 168 | G | B | 0.0000 | |
| 169 | Y | B | 0.0721 | |
| 170 | K | B | -0.9980 | |
| 171 | E | B | -1.8051 | |
| 172 | S | B | -0.8571 | |
| 173 | C | B | 0.1787 | |
| 174 | C | B | 0.3569 | |
| 175 | P | B | 0.1226 | |
| 176 | V | B | 0.3382 | |
| 177 | S | B | -0.1880 | |
| 178 | S | B | -0.4677 | |
| 179 | N | B | -0.9187 | |
| 180 | T | B | -1.1739 | |
| 181 | V | B | 0.0000 | |
| 182 | K | B | -2.2778 | |
| 183 | I | B | 0.0000 | |
| 184 | Q | B | -1.7345 | |
| 185 | V | B | 0.0000 | |
| 186 | Q | B | -1.5278 | |
| 187 | E | B | -2.2120 | |
| 188 | P | B | 0.0000 | |
| 189 | F | B | 0.0000 | |
| 190 | T | B | -1.5747 | |
| 191 | R | B | -2.1602 | |
| 192 | P | B | 0.0000 | |
| 193 | V | B | -0.4002 | |
| 194 | L | B | 0.0000 | |
| 195 | R | B | -1.7992 | |
| 196 | A | B | -1.1747 | |
| 197 | S | B | -0.7538 | |
| 198 | S | B | -0.5918 | |
| 199 | F | B | -0.1294 | |
| 200 | Q | B | -0.9768 | |
| 201 | P | B | 0.0000 | |
| 202 | I | B | -0.0084 | |
| 203 | S | B | -0.4838 | |
| 204 | G | B | -0.5921 | |
| 205 | N | B | -0.9239 | |
| 206 | P | B | -0.7694 | |
| 207 | V | B | 0.0000 | |
| 208 | T | B | -1.0051 | |
| 209 | L | B | 0.0000 | |
| 210 | T | B | -1.3381 | |
| 211 | C | B | 0.0000 | |
| 212 | E | B | -1.3568 | |
| 213 | T | B | -1.0464 | |
| 214 | Q | B | -1.4073 | |
| 215 | L | B | -0.8699 | |
| 216 | S | B | -0.7676 | |
| 217 | L | B | -0.2809 | |
| 218 | E | B | -0.7519 | |
| 219 | R | B | -1.2515 | |
| 220 | S | B | -0.8011 | |
| 221 | D | B | -1.8245 | |
| 222 | V | B | -0.5536 | |
| 223 | P | B | -0.2224 | |
| 224 | L | B | 0.1122 | |
| 225 | R | B | 0.0000 | |
| 226 | F | B | 0.0000 | |
| 227 | R | B | -0.8293 | |
| 228 | F | B | 0.0000 | |
| 229 | F | B | 0.0000 | |
| 230 | R | B | -1.5294 | |
| 231 | D | B | -2.2838 | |
| 232 | D | B | -2.8571 | |
| 233 | Q | B | -2.5062 | |
| 234 | T | B | -1.3305 | |
| 235 | L | B | 0.0000 | |
| 236 | G | B | 0.0000 | |
| 237 | L | B | 0.0000 | |
| 238 | G | B | 0.0000 | |
| 239 | W | B | 0.0000 | |
| 240 | S | B | 0.0000 | |
| 241 | L | B | 0.0000 | |
| 242 | S | B | 0.0000 | |
| 243 | P | B | -0.8518 | |
| 244 | N | B | -1.7474 | |
| 245 | F | B | 0.0000 | |
| 246 | Q | B | -1.1484 | |
| 247 | I | B | -0.4638 | |
| 248 | T | B | -0.5811 | |
| 249 | A | B | -0.4516 | |
| 250 | M | B | 0.0000 | |
| 251 | W | B | -0.3904 | |
| 252 | S | B | -0.8752 | |
| 253 | K | B | -1.7396 | |
| 254 | D | B | 0.0000 | |
| 255 | S | B | -0.7312 | |
| 256 | G | B | 0.0000 | |
| 257 | F | B | 0.0601 | |
| 258 | Y | B | 0.0000 | |
| 259 | W | B | 0.0000 | |
| 260 | C | B | 0.0000 | |
| 261 | K | B | -0.6294 | |
| 262 | A | B | 0.0000 | |
| 263 | A | B | 0.0000 | |
| 264 | T | B | 0.0000 | |
| 265 | M | B | 0.2730 | |
| 266 | P | B | 0.0143 | |
| 267 | Y | B | 0.8038 | |
| 268 | S | B | 0.1425 | |
| 269 | V | B | 0.0000 | |
| 270 | I | B | 0.8537 | |
| 271 | S | B | -0.6129 | |
| 272 | D | B | -1.0879 | |
| 273 | S | B | 0.0000 | |
| 274 | P | B | -0.9991 | |
| 275 | R | B | -1.3328 | |
| 276 | S | B | -0.2796 | |
| 277 | W | B | 0.6664 | |
| 278 | I | B | 0.0000 | |
| 279 | Q | B | -0.8634 | |
| 280 | V | B | 0.0000 | |
| 281 | Q | B | -0.4679 | |
| 282 | I | B | -0.1254 | |
| 283 | P | B | -0.3447 | |
| 284 | A | B | 0.0000 | |
| 285 | S | B | -1.3570 | |
| 286 | H | B | -1.5042 | |
| 287 | P | B | 0.0000 | |
| 288 | V | B | 0.8038 | |
| 289 | L | B | 0.0000 | |
| 290 | T | B | -0.1874 | |
| 291 | L | B | 0.0000 | |
| 292 | S | B | -1.5081 | |
| 293 | P | B | -1.7965 | |
| 294 | E | B | -2.5311 | |
| 295 | K | B | -2.0586 | |
| 296 | A | B | -0.4736 | |
| 297 | L | B | 0.7639 | |
| 298 | N | B | 0.0000 | |
| 299 | F | B | 0.2491 | |
| 300 | E | B | -0.9064 | |
| 301 | G | B | -1.0306 | |
| 302 | T | B | -1.0978 | |
| 303 | K | B | -1.8776 | |
| 304 | V | B | 0.0000 | |
| 305 | T | B | -0.7013 | |
| 306 | L | B | 0.0000 | |
| 307 | H | B | -0.1725 | |
| 308 | C | B | 0.0000 | |
| 309 | E | B | -1.5491 | |
| 310 | T | B | 0.0000 | |
| 311 | Q | B | -2.6268 | |
| 312 | E | B | -3.3206 | |
| 313 | D | B | -3.4343 | |
| 314 | S | B | -2.0777 | |
| 315 | L | B | -0.8683 | |
| 316 | R | B | -2.4634 | |
| 317 | T | B | 0.0000 | |
| 318 | L | B | -1.2461 | |
| 319 | Y | B | 0.0000 | |
| 320 | R | B | -1.9910 | |
| 321 | F | B | 0.0000 | |
| 322 | Y | B | -0.5930 | |
| 323 | H | B | -0.8249 | |
| 324 | E | B | -1.7611 | |
| 325 | G | B | -0.5439 | |
| 326 | V | B | 0.7625 | |
| 327 | P | B | -0.3907 | |
| 328 | L | B | -0.8124 | |
| 329 | R | B | -2.4519 | |
| 330 | H | B | -2.6107 | |
| 331 | K | B | -2.1330 | |
| 332 | S | B | -1.8145 | |
| 333 | V | B | -1.8927 | |
| 334 | R | B | -2.6774 | |
| 335 | C | B | -1.5056 | |
| 336 | E | B | -3.2365 | |
| 337 | R | B | -3.5141 | |
| 338 | G | B | 0.0000 | |
| 339 | A | B | 0.0000 | |
| 340 | S | B | -0.7734 | |
| 341 | I | B | -0.5564 | |
| 342 | S | B | -0.4044 | |
| 343 | F | B | -0.3235 | |
| 344 | S | B | -0.9843 | |
| 345 | L | B | 0.0000 | |
| 346 | T | B | -1.1523 | |
| 347 | T | B | -1.1720 | |
| 348 | E | B | -2.0780 | |
| 349 | N | B | -1.5778 | |
| 350 | S | B | -1.3477 | |
| 351 | G | B | -1.3008 | |
| 352 | N | B | -1.5169 | |
| 353 | Y | B | 0.0000 | |
| 354 | Y | B | -0.4868 | |
| 355 | C | B | 0.0000 | |
| 356 | T | B | -0.8975 | |
| 357 | A | B | 0.0000 | |
| 358 | D | B | -1.3096 | |
| 359 | N | B | -0.9116 | |
| 360 | G | B | -0.8764 | |
| 361 | L | B | -0.1478 | |
| 362 | G | B | -0.6446 | |
| 363 | A | B | -0.8993 | |
| 364 | K | B | -1.1908 | |
| 365 | P | B | -0.9663 | |
| 366 | S | B | -0.7025 | |
| 367 | K | B | -1.3888 | |
| 368 | A | B | -0.7406 | |
| 369 | V | B | -0.0748 | |
| 370 | S | B | -0.6837 | |
| 371 | L | B | 0.0000 | |
| 372 | S | B | -0.0434 | |
| 373 | V | B | -0.0028 | |
| 374 | T | B | 0.0000 | |
| 375 | V | B | -0.0184 | |
| 376 | P | B | -0.1329 | |
| 377 | V | B | 0.0000 | |
| 378 | S | B | -1.6853 | |
| 379 | H | B | -2.1925 | |
| 380 | P | B | 0.0000 | |
| 381 | V | B | -0.3176 | |
| 382 | L | B | 0.0000 | |
| 383 | N | B | -0.6066 | |
| 384 | L | B | -0.1952 | |
| 385 | S | B | -0.9423 | |
| 386 | S | B | -1.2721 | |
| 387 | P | B | -1.5972 | |
| 388 | E | B | -2.3313 | |
| 389 | D | B | -2.0819 | |
| 390 | L | B | -0.4299 | |
| 391 | I | B | -0.2104 | |
| 392 | F | B | -0.0104 | |
| 393 | E | B | -0.6591 | |
| 394 | G | B | -0.6591 | |
| 395 | A | B | 0.0000 | |
| 396 | K | B | -2.0064 | |
| 397 | V | B | 0.0000 | |
| 398 | T | B | -0.6115 | |
| 399 | L | B | 0.0000 | |
| 400 | H | B | -0.3933 | |
| 401 | C | B | 0.0000 | |
| 402 | E | B | -0.9990 | |
| 403 | A | B | 0.0000 | |
| 404 | Q | B | -2.2171 | |
| 405 | R | B | -2.3771 | |
| 406 | G | B | -0.9522 | |
| 407 | S | B | -0.1676 | |
| 408 | L | B | 0.1429 | |
| 409 | P | B | -0.2663 | |
| 410 | I | B | 0.0000 | |
| 411 | L | B | -0.5558 | |
| 412 | Y | B | 0.0000 | |
| 413 | Q | B | 0.0000 | |
| 414 | F | B | 0.0000 | |
| 415 | H | B | -0.9038 | |
| 416 | H | B | -1.2607 | |
| 417 | E | B | -2.3887 | |
| 418 | G | B | -1.3774 | |
| 419 | A | B | -0.6088 | |
| 420 | A | B | -0.4978 | |
| 421 | L | B | -0.2299 | |
| 422 | E | B | -1.6807 | |
| 423 | R | B | -2.5642 | |
| 424 | R | B | -2.2621 | |
| 425 | S | B | -1.2252 | |
| 426 | A | B | 0.0000 | |
| 427 | N | B | -1.3035 | |
| 428 | S | B | -0.7310 | |
| 429 | A | B | -0.8503 | |
| 430 | G | B | -0.8391 | |
| 431 | G | B | -0.7411 | |
| 432 | V | B | -0.5473 | |
| 433 | A | B | -0.4587 | |
| 434 | I | B | 0.0000 | |
| 435 | S | B | -0.4754 | |
| 436 | F | B | -0.3755 | |
| 437 | S | B | -0.8588 | |
| 438 | L | B | 0.0000 | |
| 439 | T | B | -0.9821 | |
| 440 | A | B | -1.1797 | |
| 441 | E | B | -2.0467 | |
| 442 | H | B | -1.5728 | |
| 443 | S | B | -1.3224 | |
| 444 | G | B | -1.3797 | |
| 445 | N | B | -1.6788 | |
| 446 | Y | B | 0.0000 | |
| 447 | Y | B | -1.0871 | |
| 448 | C | B | 0.0000 | |
| 449 | T | B | -1.3271 | |
| 450 | A | B | 0.0000 | |
| 451 | D | B | -0.5236 | |
| 452 | N | B | 0.0796 | |
| 453 | G | B | 0.4209 | |
| 454 | F | B | 1.1172 | |
| 455 | G | B | -0.0081 | |
| 456 | P | B | -0.8338 | |
| 457 | Q | B | -1.4387 | |
| 458 | R | B | -2.3787 | |
| 459 | S | B | 0.0000 | |
| 460 | K | B | -2.0479 | |
| 461 | A | B | -1.2720 | |
| 462 | V | B | -0.4007 | |
| 463 | S | B | -0.7741 | |
| 464 | L | B | 0.0000 | |
| 465 | S | B | -0.4385 | |
| 466 | V | B | 0.0000 | |
| 467 | T | B | 0.2062 | |
| 468 | V | B | -0.1230 | |
| 469 | P | B | -0.5268 | |
| 470 | V | B | 0.0000 | |
| 471 | S | B | -1.5681 | |
| 472 | H | B | -2.2512 | |
| 473 | P | B | 0.0000 | |
| 474 | V | B | -0.6268 | |
| 475 | L | B | 0.0000 | |
| 476 | T | B | 0.0561 | |
| 477 | L | B | 0.2741 | |
| 478 | S | B | -0.2451 | |
| 479 | S | B | -0.4156 | |
| 480 | A | B | -0.6975 | |
| 481 | E | B | -1.3538 | |
| 482 | A | B | -0.3646 | |
| 483 | L | B | 0.5490 | |
| 484 | T | B | 0.4443 | |
| 485 | F | B | 0.1379 | |
| 486 | E | B | -0.6693 | |
| 487 | G | B | -0.7898 | |
| 488 | A | B | -0.4725 | |
| 489 | T | B | -0.5025 | |
| 490 | V | B | 0.0000 | |
| 491 | T | B | -0.0109 | |
| 492 | L | B | 0.0000 | |
| 493 | H | B | -0.7297 | |
| 494 | C | B | 0.0000 | |
| 495 | E | B | -2.2811 | |
| 496 | V | B | 0.0000 | |
| 497 | Q | B | -2.1937 | |
| 498 | R | B | -1.9093 | |
| 499 | G | B | -1.1003 | |
| 500 | S | B | -0.6517 | |
| 501 | P | B | -0.9489 | |
| 502 | Q | B | -1.4436 | |
| 503 | I | B | 0.0000 | |
| 504 | L | B | -0.2190 | |
| 505 | Y | B | 0.0000 | |
| 506 | Q | B | -0.2737 | |
| 507 | F | B | 0.0000 | |
| 508 | Y | B | -0.4953 | |
| 509 | H | B | 0.0000 | |
| 510 | E | B | -2.4687 | |
| 511 | D | B | -2.2843 | |
| 512 | M | B | -0.4629 | |
| 513 | P | B | -0.2306 | |
| 514 | L | B | 0.3352 | |
| 515 | W | B | 0.6032 | |
| 516 | S | B | 0.0937 | |
| 517 | S | B | -0.1228 | |
| 518 | S | B | -0.5505 | |
| 519 | T | B | -0.6891 | |
| 520 | P | B | -0.7748 | |
| 521 | S | B | -0.7118 | |
| 522 | V | B | -0.7921 | |
| 523 | G | B | -1.6005 | |
| 524 | R | B | -2.4324 | |
| 525 | V | B | 0.0000 | |
| 526 | S | B | -0.6651 | |
| 527 | F | B | 0.2665 | |
| 528 | S | B | 0.0106 | |
| 529 | F | B | 0.0211 | |
| 530 | S | B | -0.3622 | |
| 531 | L | B | 0.0000 | |
| 532 | T | B | -1.3080 | |
| 533 | E | B | -1.8995 | |
| 534 | G | B | -1.2785 | |
| 535 | H | B | -1.0315 | |
| 536 | S | B | -0.4553 | |
| 537 | G | B | -0.5599 | |
| 538 | N | B | -1.0614 | |
| 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 | -1.0882 | |
| 545 | N | B | -0.8157 | |
| 546 | G | B | -0.5184 | |
| 547 | F | B | 0.1621 | |
| 548 | G | B | -0.5909 | |
| 549 | P | B | -1.2386 | |
| 550 | Q | B | -1.8885 | |
| 551 | R | B | -2.4208 | |
| 552 | S | B | 0.0000 | |
| 553 | E | B | -1.3412 | |
| 554 | V | B | 0.0335 | |
| 555 | V | B | 0.3993 | |
| 556 | S | B | 0.4657 | |
| 557 | L | B | 0.0000 | |
| 558 | F | B | 1.5584 | |
| 559 | V | B | 0.0000 | |
| 560 | T | B | 0.1961 | |
| 561 | V | B | 0.0000 | |
| 562 | P | B | -0.4025 | |
| 563 | V | B | 0.0000 | |
| 564 | S | B | -1.5933 | |
| 565 | R | B | -2.6032 | |
| 566 | P | B | 0.0000 | |
| 567 | I | B | 0.4551 | |
| 568 | L | B | 0.0000 | |
| 569 | T | B | -0.1468 | |
| 570 | L | B | -0.9322 | |
| 571 | R | B | -2.1555 | |
| 572 | V | B | -1.0698 | |
| 573 | P | B | -1.2588 | |
| 574 | R | B | -2.0836 | |
| 575 | A | B | -1.2298 | |
| 576 | Q | B | -0.8614 | |
| 577 | A | B | 0.0000 | |
| 578 | V | B | 0.0000 | |
| 579 | V | B | 0.3645 | |
| 580 | G | B | 0.1103 | |
| 581 | D | B | 0.0000 | |
| 582 | L | B | 0.1113 | |
| 583 | L | B | 0.0000 | |
| 584 | E | B | -1.5876 | |
| 585 | L | B | 0.0000 | |
| 586 | H | B | -1.1178 | |
| 587 | C | B | 0.0000 | |
| 588 | E | B | -1.7732 | |
| 589 | A | B | 0.0000 | |
| 590 | P | B | -1.6638 | |
| 591 | R | B | -2.4510 | |
| 592 | G | B | -1.5482 | |
| 593 | S | B | -0.9457 | |
| 594 | P | B | -0.8917 | |
| 595 | P | B | -0.7055 | |
| 596 | I | B | 0.0000 | |
| 597 | L | B | 0.0691 | |
| 598 | Y | B | 0.0000 | |
| 599 | W | B | 0.2667 | |
| 600 | F | B | 0.0000 | |
| 601 | Y | B | -0.3667 | |
| 602 | H | B | -0.9650 | |
| 603 | E | B | -2.3436 | |
| 604 | D | B | -1.8496 | |
| 605 | V | B | 0.4094 | |
| 606 | T | B | 0.3210 | |
| 607 | L | B | 0.3082 | |
| 608 | G | B | 0.2382 | |
| 609 | S | B | 0.1245 | |
| 610 | S | B | -0.2067 | |
| 611 | S | B | -0.5384 | |
| 612 | A | B | 0.0000 | |
| 613 | P | B | -0.5992 | |
| 614 | S | B | -0.8161 | |
| 615 | G | B | -1.3816 | |
| 616 | G | B | -1.9150 | |
| 617 | E | B | -2.2771 | |
| 618 | A | B | 0.0000 | |
| 619 | S | B | -1.0431 | |
| 620 | F | B | -0.5263 | |
| 621 | N | B | -1.3675 | |
| 622 | L | B | -0.3758 | |
| 623 | S | B | -0.1453 | |
| 624 | L | B | 0.0000 | |
| 625 | T | B | -0.3713 | |
| 626 | A | B | -0.6929 | |
| 627 | E | B | -1.8791 | |
| 628 | H | B | -1.2821 | |
| 629 | S | B | -1.0641 | |
| 630 | G | B | -1.2094 | |
| 631 | N | B | -1.6590 | |
| 632 | Y | B | 0.0000 | |
| 633 | S | B | 0.0000 | |
| 634 | C | B | 0.0000 | |
| 635 | E | B | -0.8845 | |
| 636 | A | B | 0.0000 | |
| 637 | N | B | -0.3962 | |
| 638 | N | B | -0.2808 | |
| 639 | G | B | -0.1000 | |
| 640 | L | B | 0.8604 | |
| 641 | V | B | 1.5788 | |
| 642 | A | B | 0.0312 | |
| 643 | Q | B | -1.3627 | |
| 644 | H | B | -1.7421 | |
| 645 | S | B | 0.0000 | |
| 646 | D | B | -1.8629 | |
| 647 | T | B | -0.9908 | |
| 648 | I | B | -0.3186 | |
| 649 | S | B | -0.4176 | |
| 650 | L | B | -0.1477 | |
| 651 | S | B | -0.4720 | |
| 652 | V | B | 0.0000 | |
| 653 | I | B | 0.4359 | |
| 654 | V | B | 0.1966 | |
| 655 | P | B | -0.8886 | |
| 656 | V | B | 0.0000 | |
| 657 | S | B | -1.5738 | |
| 658 | R | B | -2.4607 | |
| 659 | P | B | 0.0000 | |
| 660 | I | B | 0.3984 | |
| 661 | L | B | 0.0000 | |
| 662 | T | B | -0.2332 | |
| 663 | F | B | -0.8849 | |
| 664 | R | B | -2.2869 | |
| 665 | A | B | -1.5551 | |
| 666 | P | B | -1.5142 | |
| 667 | R | B | -2.3508 | |
| 668 | A | B | -1.5127 | |
| 669 | Q | B | -1.6656 | |
| 670 | A | B | 0.0000 | |
| 671 | V | B | 0.0000 | |
| 672 | V | B | 0.0393 | |
| 673 | G | B | -0.0278 | |
| 674 | D | B | 0.0000 | |
| 675 | L | B | 0.0013 | |
| 676 | L | B | 0.0000 | |
| 677 | E | B | -1.5655 | |
| 678 | L | B | 0.0000 | |
| 679 | H | B | -0.8450 | |
| 680 | C | B | 0.0000 | |
| 681 | E | B | -0.7549 | |
| 682 | A | B | 0.0000 | |
| 683 | L | B | 0.2127 | |
| 684 | R | B | -1.6051 | |
| 685 | G | B | -0.9558 | |
| 686 | S | B | -0.6254 | |
| 687 | S | B | -0.8308 | |
| 688 | P | B | -0.7599 | |
| 689 | I | B | 0.0000 | |
| 690 | L | B | -0.3434 | |
| 691 | Y | B | 0.0000 | |
| 692 | W | B | -0.3782 | |
| 693 | F | B | 0.0000 | |
| 694 | Y | B | -0.1532 | |
| 695 | H | B | -0.4301 | |
| 696 | E | B | -1.7262 | |
| 697 | D | B | -1.6092 | |
| 698 | V | B | 0.4034 | |
| 699 | T | B | 0.0763 | |
| 700 | L | B | 0.0118 | |
| 701 | G | B | -0.2431 | |
| 702 | K | B | -1.2188 | |
| 703 | I | B | -0.2002 | |
| 704 | S | B | -0.4462 | |
| 705 | A | B | 0.0000 | |
| 706 | P | B | -0.5607 | |
| 707 | S | B | -0.6382 | |
| 708 | G | B | -0.8263 | |
| 709 | G | B | -0.8051 | |
| 710 | G | B | -0.3323 | |
| 711 | A | B | 0.0000 | |
| 712 | S | B | -0.9124 | |
| 713 | F | B | -0.6051 | |
| 714 | N | B | -1.3330 | |
| 715 | L | B | -0.4001 | |
| 716 | S | B | -0.1684 | |
| 717 | L | B | 0.0000 | |
| 718 | T | B | -0.5323 | |
| 719 | T | B | -1.1056 | |
| 720 | E | B | -2.0708 | |
| 721 | H | B | -1.4365 | |
| 722 | S | B | -1.4243 | |
| 723 | G | B | -0.7546 | |
| 724 | I | B | 0.1200 | |
| 725 | Y | B | 0.0000 | |
| 726 | S | B | 0.0000 | |
| 727 | C | B | 0.0000 | |
| 728 | E | B | -1.3801 | |
| 729 | A | B | 0.0000 | |
| 730 | D | B | -1.4232 | |
| 731 | N | B | -0.9064 | |
| 732 | G | B | -0.9046 | |
| 733 | L | B | -0.9414 | |
| 734 | E | B | -2.0935 | |
| 735 | A | B | -1.7556 | |
| 736 | Q | B | -2.2951 | |
| 737 | R | B | -2.0156 | |
| 738 | S | B | 0.0000 | |
| 739 | E | B | -1.6071 | |
| 740 | M | B | 0.2003 | |
| 741 | V | B | 0.7618 | |
| 742 | T | B | 0.1123 | |
| 743 | L | B | 0.0000 | |
| 744 | K | B | -1.9776 | |
| 745 | V | B | 0.0000 | |
| 746 | A | B | -0.4240 | |
| 747 | V | B | -0.2338 | |
| 748 | P | B | -0.5528 | |
| 749 | V | B | 0.0000 | |
| 750 | S | B | -1.2923 | |
| 751 | R | B | -2.4609 | |
| 752 | P | B | 0.0000 | |
| 753 | V | B | 0.1594 | |
| 754 | L | B | 0.0000 | |
| 755 | T | B | -0.2734 | |
| 756 | L | B | -0.8414 | |
| 757 | R | B | -2.0341 | |
| 758 | A | B | -1.1600 | |
| 759 | P | B | -0.9295 | |
| 760 | G | B | -1.1505 | |
| 761 | T | B | -0.9844 | |
| 762 | H | B | -0.9291 | |
| 763 | A | B | 0.0000 | |
| 764 | A | B | 0.5096 | |
| 765 | V | B | 1.2890 | |
| 766 | G | B | 0.3670 | |
| 767 | D | B | 0.1340 | |
| 768 | L | B | 0.1911 | |
| 769 | L | B | 0.0000 | |
| 770 | E | B | -1.3274 | |
| 771 | L | B | 0.0000 | |
| 772 | H | B | -0.7599 | |
| 773 | C | B | 0.0000 | |
| 774 | E | B | -0.5337 | |
| 775 | A | B | -0.6070 | |
| 776 | L | B | 0.4447 | |
| 777 | R | B | -1.1750 | |
| 778 | G | B | -0.5859 | |
| 779 | S | B | -0.2717 | |
| 780 | P | B | 0.0448 | |
| 781 | L | B | 0.8213 | |
| 782 | I | B | 0.0000 | |
| 783 | L | B | -0.5633 | |
| 784 | Y | B | 0.0000 | |
| 785 | R | B | -1.6842 | |
| 786 | F | B | 0.0000 | |
| 787 | F | B | -0.6354 | |
| 788 | H | B | -0.9771 | |
| 789 | E | B | -2.3392 | |
| 790 | D | B | -1.8346 | |
| 791 | V | B | 0.4331 | |
| 792 | T | B | -0.0196 | |
| 793 | L | B | 0.0085 | |
| 794 | G | B | -0.9327 | |
| 795 | N | B | -2.3213 | |
| 796 | R | B | -2.5798 | |
| 797 | S | B | -1.1975 | |
| 798 | S | B | -0.5608 | |
| 799 | P | B | -0.1197 | |
| 800 | S | B | -0.5133 | |
| 801 | G | B | -0.6859 | |
| 802 | G | B | -0.5470 | |
| 803 | A | B | 0.0000 | |
| 804 | S | B | -1.0308 | |
| 805 | L | B | -1.0484 | |
| 806 | N | B | -1.2360 | |
| 807 | L | B | -0.3178 | |
| 808 | S | B | -0.0389 | |
| 809 | L | B | 0.0000 | |
| 810 | T | B | -0.1863 | |
| 811 | A | B | -0.1232 | |
| 812 | E | B | -1.5170 | |
| 813 | H | B | -0.9333 | |
| 814 | S | B | -0.2351 | |
| 815 | G | B | -0.7781 | |
| 816 | N | B | -1.2760 | |
| 817 | Y | B | 0.0000 | |
| 818 | S | B | 0.0000 | |
| 819 | C | B | 0.0000 | |
| 820 | E | B | -1.6595 | |
| 821 | A | B | 0.0000 | |
| 822 | D | B | -0.8988 | |
| 823 | N | B | -0.1780 | |
| 824 | G | B | -0.2827 | |
| 825 | L | B | -0.0859 | |
| 826 | G | B | -0.4655 | |
| 827 | A | B | -1.1299 | |
| 828 | Q | B | -2.0643 | |
| 829 | R | B | -2.1802 | |
| 830 | S | B | 0.0000 | |
| 831 | E | B | -2.0771 | |
| 832 | T | B | -1.0644 | |
| 833 | V | B | -0.0545 | |
| 834 | T | B | 0.0379 | |
| 835 | L | B | 0.5669 | |
| 836 | Y | B | 1.0842 | |
| 837 | I | B | 0.8352 | |
| 838 | T | B | 0.6176 | |
| 839 | G | B | 0.7269 | |
| 840 | L | B | 1.1092 | |
| 841 | T | B | 0.3130 | |
| 842 | A | B | -0.7489 | |
| 843 | N | B | -2.0441 | |
| 844 | R | B | -2.6824 | |
| 845 | S | B | -1.5577 | |
| 846 | G | B | -0.6315 | |
| 847 | P | B | 0.4713 | |
| 848 | F | B | 1.6353 | |
| 849 | A | B | 0.7755 | |
| 850 | T | B | 0.5227 | |
| 851 | G | B | 0.5873 | |
| 852 | V | B | 1.4522 | |
| 853 | A | B | 0.5894 | |
| 854 | G | B | 0.0885 | |
| 855 | G | B | 0.4770 | |
| 856 | L | B | 2.0947 | |
| 857 | L | B | 2.6096 | |
| 858 | S | B | 1.9814 | |
| 859 | I | B | 2.5304 | |
| 860 | A | B | 1.3840 | |
| 861 | G | B | 0.7738 | |
| 862 | L | B | 1.5892 | |
| 863 | A | B | 0.6843 | |
| 864 | A | B | 0.3983 | |
| 865 | G | B | 0.2553 | |
| 866 | A | B | 1.2207 | |
| 867 | L | B | 2.7655 | |
| 868 | L | B | 3.5433 | |
| 869 | L | B | 3.7922 | |
| 870 | Y | B | 3.4274 | |
| 871 | C | B | 2.9244 | |
| 872 | W | B | 2.6639 | |
| 873 | L | B | 1.7900 | |
| 874 | S | B | -0.3978 | |
| 875 | R | B | -2.3919 | |
| 876 | K | B | -2.6950 | |
| 877 | A | B | -1.9191 | |
| 878 | G | B | -2.2684 | |
| 879 | R | B | -3.0016 | |
| 880 | K | B | -2.8426 | |
| 881 | P | B | -1.5011 | |
| 882 | A | B | -0.9708 | |
| 883 | S | B | -1.2735 | |
| 884 | D | B | -2.0024 | |
| 885 | P | B | -1.4881 | |
| 886 | A | B | -1.3636 | |
| 887 | R | B | -2.0348 | |
| 888 | S | B | -1.3584 | |
| 889 | P | B | -1.2383 | |
| 890 | S | B | -1.3062 | |
| 891 | D | B | -2.4756 | |
| 892 | S | B | -2.1934 | |
| 893 | D | B | -2.9097 | |
| 894 | S | B | -2.1793 | |
| 895 | Q | B | -2.7242 | |
| 896 | E | B | -2.6201 | |
| 897 | P | B | -1.2259 | |
| 898 | T | B | -0.6078 | |
| 899 | Y | B | 0.4082 | |
| 900 | H | B | -0.6005 | |
| 901 | N | B | -0.6228 | |
| 902 | V | B | 1.1045 | |
| 903 | P | B | 0.1920 | |
| 904 | A | B | 0.0521 | |
| 905 | W | B | 0.2161 | |
| 906 | E | B | -1.8701 | |
| 907 | E | B | -2.0009 | |
| 908 | L | B | -0.0797 | |
| 909 | Q | B | -0.6694 | |
| 910 | P | B | 0.5959 | |
| 911 | V | B | 2.0166 | |
| 912 | Y | B | 1.5801 | |
| 913 | T | B | 0.2880 | |
| 914 | N | B | -1.0861 | |
| 915 | A | B | -1.3158 | |
| 916 | N | B | -2.3091 | |
| 917 | P | B | -2.4528 | |
| 918 | R | B | -3.1447 | |
| 919 | G | B | -2.6346 | |
| 920 | E | B | -2.4190 | |
| 921 | N | B | -1.0376 | |
| 922 | V | B | 1.5399 | |
| 923 | V | B | 2.2633 | |
| 924 | Y | B | 2.2185 | |
| 925 | S | B | 0.4074 | |
| 926 | E | B | -0.1587 | |
| 927 | V | B | 1.4989 | |
| 928 | R | B | 0.3963 | |
| 929 | I | B | 2.0217 | |
| 930 | I | B | 1.4027 | |
| 931 | Q | B | -1.4619 | |
| 932 | E | B | -3.1180 | |
| 933 | K | B | -4.0873 | |
| 934 | K | B | -4.2547 | |
| 935 | K | B | -3.4580 | |
| 936 | H | B | -1.9931 | |
| 937 | A | B | -0.2836 | |
| 938 | V | B | 1.0608 | |
| 939 | A | B | 0.2866 | |
| 940 | S | B | -0.8256 | |
| 941 | D | B | -2.4162 | |
| 942 | P | B | -2.0404 | |
| 943 | R | B | -2.7647 | |
| 944 | H | B | -2.0169 | |
| 945 | L | B | -0.8527 | |
| 946 | R | B | -2.6836 | |
| 947 | N | B | -2.8885 | |
| 948 | K | B | -2.9119 | |
| 949 | G | B | -1.7585 | |
| 950 | S | B | -0.4129 | |
| 951 | P | B | 0.9661 | |
| 952 | I | B | 3.0058 | |
| 953 | I | B | 3.1152 | |
| 954 | Y | B | 2.5060 | |
| 955 | S | B | 0.6488 | |
| 956 | E | B | -0.2149 | |
| 957 | V | B | 0.9816 | |
| 958 | K | B | -0.2914 | |
| 959 | V | B | 1.1778 | |
| 960 | A | B | 0.5228 | |
| 961 | S | B | 0.1763 | |
| 962 | T | B | 0.3423 | |
| 963 | P | B | 0.4099 | |
| 964 | V | B | 1.3560 | |
| 965 | S | B | 0.4784 | |
| 966 | G | B | 0.3910 | |
| 967 | S | B | 1.1866 | |
| 968 | L | B | 2.6708 | |
| 969 | F | B | 3.3224 | |
| 970 | L | B | 2.8362 | |
| 971 | A | B | 1.3736 | |
| 972 | S | B | 0.3273 | |
| 973 | S | B | -0.2529 | |
| 974 | A | B | -0.6563 | |
| 975 | P | B | -1.2122 | |
| 976 | H | B | -2.0128 | |
| 977 | R | B | -2.3731 |
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 | -0.3262 | 6.989 | View | CSV | PDB |
| 4.5 | -0.3887 | 6.989 | View | CSV | PDB |
| 5.0 | -0.4679 | 6.989 | View | CSV | PDB |
| 5.5 | -0.5493 | 6.989 | View | CSV | PDB |
| 6.0 | -0.6178 | 6.989 | View | CSV | PDB |
| 6.5 | -0.6623 | 6.989 | View | CSV | PDB |
| 7.0 | -0.6814 | 6.989 | View | CSV | PDB |
| 7.5 | -0.6834 | 6.989 | View | CSV | PDB |
| 8.0 | -0.6768 | 6.989 | View | CSV | PDB |
| 8.5 | -0.6647 | 6.989 | View | CSV | PDB |
| 9.0 | -0.6466 | 6.989 | 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