| Chain sequence(s) |
A: SAKDAVLAELEALIDELEANAETLSEEEFAALYAEIQAKWDELEALTTDIEELQALYDRFNPRLQAARDTFLKKEEEKAK
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] (00:00:01)
[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 (00:18:45)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/5468f7c73d634e9/tmp/folded.pdb (00:18:45)
[INFO] Main: Simulation completed successfully. (00:31:49)
|
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 | -0.7704 | |
| 2 | A | A | -0.4828 | |
| 3 | K | A | -1.1499 | |
| 4 | D | A | -1.9382 | |
| 5 | A | A | -1.3099 | |
| 6 | V | A | -1.3802 | |
| 7 | L | A | -1.3893 | |
| 8 | A | A | -1.4518 | |
| 9 | E | A | -2.4235 | |
| 10 | L | A | 0.0000 | |
| 11 | E | A | -2.1487 | |
| 12 | A | A | -2.0131 | |
| 13 | L | A | -2.0119 | |
| 14 | I | A | 0.0000 | |
| 15 | D | A | -3.1403 | |
| 16 | E | A | -2.8188 | |
| 17 | L | A | 0.0000 | |
| 18 | E | A | -2.3305 | |
| 19 | A | A | -1.7949 | |
| 20 | N | A | -1.9773 | |
| 21 | A | A | 0.0000 | |
| 22 | E | A | -2.3677 | |
| 23 | T | A | -1.4079 | |
| 24 | L | A | -1.7179 | |
| 25 | S | A | -2.3737 | |
| 26 | E | A | -3.2536 | |
| 27 | E | A | -3.4619 | |
| 28 | E | A | -3.0809 | |
| 29 | F | A | 0.0000 | |
| 30 | A | A | -1.6987 | |
| 31 | A | A | -1.5202 | |
| 32 | L | A | -1.1191 | |
| 33 | Y | A | -0.7129 | |
| 34 | A | A | -0.9339 | |
| 35 | E | A | -1.5950 | |
| 36 | I | A | 0.0000 | |
| 37 | Q | A | -1.3063 | |
| 38 | A | A | -1.6696 | |
| 39 | K | A | -2.2637 | |
| 40 | W | A | 0.0000 | |
| 41 | D | A | -2.4816 | |
| 42 | E | A | -2.1601 | |
| 43 | L | A | 0.0000 | |
| 44 | E | A | 0.0000 | |
| 45 | A | A | -0.5329 | |
| 46 | L | A | -0.1893 | |
| 47 | T | A | -0.8365 | |
| 48 | T | A | -0.9690 | |
| 49 | D | A | -2.3271 | |
| 50 | I | A | -1.5368 | |
| 51 | E | A | -2.5961 | |
| 52 | E | A | -2.5136 | |
| 53 | L | A | 0.0000 | |
| 54 | Q | A | -1.8474 | |
| 55 | A | A | -1.8780 | |
| 56 | L | A | -1.5668 | |
| 57 | Y | A | 0.0000 | |
| 58 | D | A | -2.9260 | |
| 59 | R | A | -2.8378 | |
| 60 | F | A | 0.0000 | |
| 61 | N | A | -1.3641 | |
| 62 | P | A | -1.4887 | |
| 63 | R | A | -1.5293 | |
| 64 | L | A | 0.0000 | |
| 65 | Q | A | 0.0000 | |
| 66 | A | A | -0.4988 | |
| 67 | A | A | 0.0000 | |
| 68 | R | A | -0.9462 | |
| 69 | D | A | -1.0869 | |
| 70 | T | A | -1.3587 | |
| 71 | F | A | 0.0000 | |
| 72 | L | A | 0.0000 | |
| 73 | K | A | -2.7534 | |
| 74 | K | A | -2.7126 | |
| 75 | E | A | -3.0514 | |
| 76 | E | A | -2.9422 | |
| 77 | E | A | -3.8114 | |
| 78 | K | A | -3.5175 | |
| 79 | A | A | -2.4746 | |
| 80 | K | A | -3.3466 | |
| 1 | M | B | 2.3854 | |
| 2 | L | B | 3.3893 | |
| 3 | L | B | 3.9905 | |
| 4 | W | B | 4.2261 | |
| 5 | V | B | 4.7027 | |
| 6 | I | B | 4.9406 | |
| 7 | L | B | 4.7682 | |
| 8 | L | B | 4.5298 | |
| 9 | V | B | 4.0492 | |
| 10 | L | B | 3.3812 | |
| 11 | A | B | 1.9626 | |
| 12 | P | B | 1.2036 | |
| 13 | V | B | 1.4973 | |
| 14 | S | B | 0.2936 | |
| 15 | G | B | -0.0125 | |
| 16 | Q | B | -0.5562 | |
| 17 | F | B | 0.6227 | |
| 18 | A | B | -0.3507 | |
| 19 | R | B | -1.7232 | |
| 20 | T | B | -1.1121 | |
| 21 | P | B | -1.2069 | |
| 22 | R | B | -1.9811 | |
| 23 | P | B | 0.0000 | |
| 24 | I | B | -0.5075 | |
| 25 | I | B | 0.0000 | |
| 26 | F | B | 0.4990 | |
| 27 | L | B | -0.0498 | |
| 28 | Q | B | -1.5324 | |
| 29 | P | B | -1.0115 | |
| 30 | P | B | -0.3014 | |
| 31 | W | B | 0.0000 | |
| 32 | T | B | -0.6616 | |
| 33 | T | B | 0.0000 | |
| 34 | V | B | 0.0000 | |
| 35 | F | B | 0.0000 | |
| 36 | Q | B | -2.6936 | |
| 37 | G | B | -2.2643 | |
| 38 | E | B | -2.4259 | |
| 39 | R | B | -3.6158 | |
| 40 | V | B | 0.0000 | |
| 41 | T | B | -1.4011 | |
| 42 | L | B | 0.0000 | |
| 43 | T | B | -0.1066 | |
| 44 | C | B | 0.0000 | |
| 45 | K | B | -1.1211 | |
| 46 | G | B | -0.6737 | |
| 47 | F | B | 0.7131 | |
| 48 | R | B | -0.6879 | |
| 49 | F | B | -0.0216 | |
| 50 | Y | B | 0.8591 | |
| 51 | S | B | -0.1787 | |
| 52 | P | B | -0.7332 | |
| 53 | Q | B | -1.4108 | |
| 54 | K | B | -2.4897 | |
| 55 | T | B | 0.0000 | |
| 56 | K | B | -2.1307 | |
| 57 | W | B | 0.0000 | |
| 58 | Y | B | -1.1765 | |
| 59 | H | B | 0.0000 | |
| 60 | R | B | -2.3065 | |
| 61 | Y | B | -0.8156 | |
| 62 | L | B | 0.4975 | |
| 63 | G | B | -1.1005 | |
| 64 | K | B | -2.4966 | |
| 65 | E | B | -2.7643 | |
| 66 | I | B | -1.2461 | |
| 67 | L | B | -1.1499 | |
| 68 | R | B | -2.5648 | |
| 69 | E | B | -3.0702 | |
| 70 | T | B | -2.1283 | |
| 71 | P | B | -1.4966 | |
| 72 | D | B | -1.3249 | |
| 73 | N | B | 0.0000 | |
| 74 | I | B | -0.0972 | |
| 75 | L | B | -0.8768 | |
| 76 | E | B | -2.5130 | |
| 77 | V | B | 0.0000 | |
| 78 | Q | B | -3.7819 | |
| 79 | E | B | -3.5646 | |
| 80 | S | B | -2.1036 | |
| 81 | G | B | -1.7450 | |
| 82 | E | B | 0.0000 | |
| 83 | Y | B | 0.0000 | |
| 84 | R | B | -0.8335 | |
| 85 | C | B | 0.0000 | |
| 86 | Q | B | -1.5825 | |
| 87 | A | B | 0.0000 | |
| 88 | Q | B | -1.5214 | |
| 89 | G | B | -0.9024 | |
| 90 | S | B | 0.0000 | |
| 91 | P | B | -1.1226 | |
| 92 | L | B | -0.6507 | |
| 93 | S | B | 0.0000 | |
| 94 | S | B | -0.7780 | |
| 95 | P | B | -0.7283 | |
| 96 | V | B | 0.0000 | |
| 97 | H | B | -1.5404 | |
| 98 | L | B | 0.0000 | |
| 99 | D | B | -2.7205 | |
| 100 | F | B | 0.0000 | |
| 101 | S | B | -1.4460 | |
| 102 | S | B | -0.9805 | |
| 103 | A | B | -0.4883 | |
| 104 | S | B | -0.8892 | |
| 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 | 0.1670 | |
| 111 | L | B | 0.2616 | |
| 112 | S | B | -0.1777 | |
| 113 | V | B | 0.0000 | |
| 114 | F | B | 0.0000 | |
| 115 | E | B | -1.3737 | |
| 116 | G | B | -0.8622 | |
| 117 | D | B | -1.0372 | |
| 118 | S | B | -0.9763 | |
| 119 | V | B | 0.0000 | |
| 120 | V | B | -0.1733 | |
| 121 | L | B | 0.0000 | |
| 122 | R | B | -1.0065 | |
| 123 | C | B | 0.0000 | |
| 124 | R | B | -1.0272 | |
| 125 | A | B | -0.9387 | |
| 126 | K | B | -1.6520 | |
| 127 | A | B | -1.5604 | |
| 128 | E | B | -2.5607 | |
| 129 | V | B | 0.0000 | |
| 130 | T | B | -1.5330 | |
| 131 | L | B | -1.8228 | |
| 132 | N | B | -2.0084 | |
| 133 | N | B | 0.0000 | |
| 134 | T | B | 0.2668 | |
| 135 | I | B | 0.0000 | |
| 136 | Y | B | -0.2095 | |
| 137 | K | B | -1.5628 | |
| 138 | N | B | -2.6149 | |
| 139 | D | B | -2.6673 | |
| 140 | N | B | -1.6582 | |
| 141 | V | B | 0.9708 | |
| 142 | L | B | 1.0752 | |
| 143 | A | B | 1.4776 | |
| 144 | F | B | 1.3330 | |
| 145 | L | B | 0.0000 | |
| 146 | N | B | -2.5229 | |
| 147 | K | B | -3.2675 | |
| 148 | R | B | -3.0959 | |
| 149 | T | B | -1.9378 | |
| 150 | D | B | -1.2242 | |
| 151 | F | B | -0.2725 | |
| 152 | H | B | -0.9226 | |
| 153 | I | B | 0.0000 | |
| 154 | P | B | -1.0330 | |
| 155 | H | B | -1.5650 | |
| 156 | A | B | 0.0000 | |
| 157 | C | B | -0.8453 | |
| 158 | L | B | -0.0955 | |
| 159 | K | B | -1.3223 | |
| 160 | D | B | -1.2010 | |
| 161 | N | B | -1.6407 | |
| 162 | G | B | -1.8136 | |
| 163 | A | B | -2.0376 | |
| 164 | Y | B | 0.0000 | |
| 165 | R | B | -1.1662 | |
| 166 | C | B | 0.0000 | |
| 167 | T | B | 0.0091 | |
| 168 | G | B | 0.0000 | |
| 169 | Y | B | -0.1266 | |
| 170 | K | B | -1.4114 | |
| 171 | E | B | -2.1381 | |
| 172 | S | B | -0.8918 | |
| 173 | C | B | 0.2538 | |
| 174 | C | B | 0.3469 | |
| 175 | P | B | 0.1253 | |
| 176 | V | B | 0.3206 | |
| 177 | S | B | -0.2131 | |
| 178 | S | B | -0.4668 | |
| 179 | N | B | -0.9515 | |
| 180 | T | B | -1.1529 | |
| 181 | V | B | 0.0000 | |
| 182 | K | B | -2.3028 | |
| 183 | I | B | 0.0000 | |
| 184 | Q | B | -1.9018 | |
| 185 | V | B | 0.0000 | |
| 186 | Q | B | -1.8206 | |
| 187 | E | B | -2.2583 | |
| 188 | P | B | 0.0000 | |
| 189 | F | B | 0.0000 | |
| 190 | T | B | -1.6253 | |
| 191 | R | B | -2.2158 | |
| 192 | P | B | 0.0000 | |
| 193 | V | B | -0.7314 | |
| 194 | L | B | 0.0000 | |
| 195 | R | B | -1.8700 | |
| 196 | A | B | -1.2090 | |
| 197 | S | B | -0.7856 | |
| 198 | S | B | -0.6493 | |
| 199 | F | B | -0.1414 | |
| 200 | Q | B | -0.9975 | |
| 201 | P | B | 0.0000 | |
| 202 | I | B | -0.2578 | |
| 203 | S | B | -0.8890 | |
| 204 | G | B | -1.0895 | |
| 205 | N | B | -1.4141 | |
| 206 | P | B | -1.1527 | |
| 207 | V | B | 0.0000 | |
| 208 | T | B | -1.1994 | |
| 209 | L | B | 0.0000 | |
| 210 | T | B | -1.4455 | |
| 211 | C | B | 0.0000 | |
| 212 | E | B | -1.4498 | |
| 213 | T | B | -1.1076 | |
| 214 | Q | B | -1.3117 | |
| 215 | L | B | -0.8891 | |
| 216 | S | B | -0.9211 | |
| 217 | L | B | -0.6553 | |
| 218 | E | B | -0.9979 | |
| 219 | R | B | -1.2811 | |
| 220 | S | B | -0.9797 | |
| 221 | D | B | -1.8290 | |
| 222 | V | B | -0.6689 | |
| 223 | P | B | -0.1901 | |
| 224 | L | B | 0.3942 | |
| 225 | R | B | 0.0000 | |
| 226 | F | B | 0.0000 | |
| 227 | R | B | -0.4685 | |
| 228 | F | B | 0.0000 | |
| 229 | F | B | 0.0000 | |
| 230 | R | B | -1.3964 | |
| 231 | D | B | -2.1746 | |
| 232 | D | B | -2.8416 | |
| 233 | Q | B | -2.4999 | |
| 234 | T | B | -1.2984 | |
| 235 | L | B | 0.0000 | |
| 236 | G | B | 0.0000 | |
| 237 | L | B | 0.0000 | |
| 238 | G | B | 0.0000 | |
| 239 | W | B | -0.1948 | |
| 240 | S | B | -0.2325 | |
| 241 | L | B | -0.0245 | |
| 242 | S | B | -0.5315 | |
| 243 | P | B | -0.7842 | |
| 244 | N | B | -1.7760 | |
| 245 | F | B | 0.0000 | |
| 246 | Q | B | -1.5945 | |
| 247 | I | B | 0.0000 | |
| 248 | T | B | -0.8952 | |
| 249 | A | B | 0.0000 | |
| 250 | M | B | 0.0000 | |
| 251 | W | B | 0.0000 | |
| 252 | S | B | -1.1855 | |
| 253 | K | B | -1.9306 | |
| 254 | D | B | 0.0000 | |
| 255 | S | B | -0.7932 | |
| 256 | G | B | 0.0000 | |
| 257 | F | B | 0.3411 | |
| 258 | Y | B | 0.0000 | |
| 259 | W | B | 0.0000 | |
| 260 | C | B | 0.0000 | |
| 261 | K | B | -0.4749 | |
| 262 | A | B | 0.0000 | |
| 263 | A | B | 0.0000 | |
| 264 | T | B | 0.0000 | |
| 265 | M | B | 0.7544 | |
| 266 | P | B | 0.5223 | |
| 267 | Y | B | 1.4111 | |
| 268 | S | B | 0.4042 | |
| 269 | V | B | 0.0000 | |
| 270 | I | B | 0.6946 | |
| 271 | S | B | -0.5716 | |
| 272 | D | B | -0.8315 | |
| 273 | S | B | 0.0000 | |
| 274 | P | B | -0.8352 | |
| 275 | R | B | -0.8934 | |
| 276 | S | B | -0.0655 | |
| 277 | W | B | 0.8379 | |
| 278 | I | B | 0.0000 | |
| 279 | Q | B | -0.9107 | |
| 280 | V | B | 0.0000 | |
| 281 | Q | B | -0.4308 | |
| 282 | I | B | 0.2156 | |
| 283 | P | B | -0.2035 | |
| 284 | A | B | 0.0000 | |
| 285 | S | B | -1.4073 | |
| 286 | H | B | -1.7108 | |
| 287 | P | B | 0.0000 | |
| 288 | V | B | 0.9020 | |
| 289 | L | B | 0.0000 | |
| 290 | T | B | -0.0598 | |
| 291 | L | B | -0.7367 | |
| 292 | S | B | -1.3994 | |
| 293 | P | B | -1.6632 | |
| 294 | E | B | -2.5526 | |
| 295 | K | B | -2.2948 | |
| 296 | A | B | -0.7914 | |
| 297 | L | B | 0.9150 | |
| 298 | N | B | 0.1328 | |
| 299 | F | B | 0.9510 | |
| 300 | E | B | -0.4039 | |
| 301 | G | B | -0.8764 | |
| 302 | T | B | -0.7757 | |
| 303 | K | B | -1.9408 | |
| 304 | V | B | 0.0000 | |
| 305 | T | B | -0.7652 | |
| 306 | L | B | 0.0000 | |
| 307 | H | B | 0.0394 | |
| 308 | C | B | 0.0000 | |
| 309 | E | B | -0.8401 | |
| 310 | T | B | 0.0000 | |
| 311 | Q | B | -2.3355 | |
| 312 | E | B | -2.4483 | |
| 313 | D | B | -1.8058 | |
| 314 | S | B | -0.8270 | |
| 315 | L | B | 0.2880 | |
| 316 | R | B | -1.0400 | |
| 317 | T | B | 0.0000 | |
| 318 | L | B | 0.5101 | |
| 319 | Y | B | 0.0000 | |
| 320 | R | B | -1.2615 | |
| 321 | F | B | 0.0000 | |
| 322 | Y | B | -0.4124 | |
| 323 | H | B | -0.6260 | |
| 324 | E | B | -1.7504 | |
| 325 | G | B | -0.5179 | |
| 326 | V | B | 0.8387 | |
| 327 | P | B | -0.2156 | |
| 328 | L | B | -1.1312 | |
| 329 | R | B | -2.3802 | |
| 330 | H | B | -2.2375 | |
| 331 | K | B | -2.1304 | |
| 332 | S | B | -0.8981 | |
| 333 | V | B | 0.6491 | |
| 334 | R | B | -0.3066 | |
| 335 | C | B | -0.7812 | |
| 336 | E | B | -2.0029 | |
| 337 | R | B | -2.1391 | |
| 338 | G | B | 0.0000 | |
| 339 | A | B | 0.0000 | |
| 340 | S | B | -0.2979 | |
| 341 | I | B | 0.0000 | |
| 342 | S | B | -0.7417 | |
| 343 | F | B | 0.0000 | |
| 344 | S | B | -1.1331 | |
| 345 | L | B | 0.0000 | |
| 346 | T | B | -1.0066 | |
| 347 | T | B | -0.9740 | |
| 348 | E | B | -1.9778 | |
| 349 | N | B | -1.4990 | |
| 350 | S | B | -1.2823 | |
| 351 | G | B | -1.3194 | |
| 352 | N | B | -1.5843 | |
| 353 | Y | B | 0.0000 | |
| 354 | Y | B | -0.3681 | |
| 355 | C | B | 0.0000 | |
| 356 | T | B | -0.6703 | |
| 357 | A | B | 0.0000 | |
| 358 | D | B | -0.9206 | |
| 359 | N | B | -0.8174 | |
| 360 | G | B | -0.6681 | |
| 361 | L | B | 0.0342 | |
| 362 | G | B | -0.5090 | |
| 363 | A | B | -0.7107 | |
| 364 | K | B | -1.1248 | |
| 365 | P | B | -0.9829 | |
| 366 | S | B | -0.6942 | |
| 367 | K | B | -1.4290 | |
| 368 | A | B | -0.7718 | |
| 369 | V | B | -0.1090 | |
| 370 | S | B | -0.7231 | |
| 371 | L | B | 0.0000 | |
| 372 | S | B | -0.0528 | |
| 373 | V | B | 0.1013 | |
| 374 | T | B | 0.7300 | |
| 375 | V | B | 0.2075 | |
| 376 | P | B | -0.3072 | |
| 377 | V | B | 0.0000 | |
| 378 | S | B | -1.7749 | |
| 379 | H | B | -2.3347 | |
| 380 | P | B | 0.0000 | |
| 381 | V | B | -0.5679 | |
| 382 | L | B | 0.0000 | |
| 383 | N | B | -0.6435 | |
| 384 | L | B | -0.1715 | |
| 385 | S | B | -0.9077 | |
| 386 | S | B | -1.2008 | |
| 387 | P | B | -1.4130 | |
| 388 | E | B | -1.9249 | |
| 389 | D | B | -1.7953 | |
| 390 | L | B | -0.0446 | |
| 391 | I | B | -0.0694 | |
| 392 | F | B | 0.0501 | |
| 393 | E | B | -0.8398 | |
| 394 | G | B | -0.9438 | |
| 395 | A | B | 0.0000 | |
| 396 | K | B | -2.0378 | |
| 397 | V | B | 0.0000 | |
| 398 | T | B | -0.6156 | |
| 399 | L | B | 0.0000 | |
| 400 | H | B | -0.4534 | |
| 401 | C | B | 0.0000 | |
| 402 | E | B | -1.1076 | |
| 403 | A | B | -1.7389 | |
| 404 | Q | B | -2.2397 | |
| 405 | R | B | -2.3605 | |
| 406 | G | B | -1.0891 | |
| 407 | S | B | -0.1640 | |
| 408 | L | B | 0.0482 | |
| 409 | P | B | -0.3250 | |
| 410 | I | B | 0.0000 | |
| 411 | L | B | -0.6261 | |
| 412 | Y | B | 0.0000 | |
| 413 | Q | B | -1.4847 | |
| 414 | F | B | 0.0000 | |
| 415 | H | B | -0.9777 | |
| 416 | H | B | -1.4513 | |
| 417 | E | B | -2.3919 | |
| 418 | G | B | -1.3871 | |
| 419 | A | B | -0.6258 | |
| 420 | A | B | -0.5825 | |
| 421 | L | B | -0.3836 | |
| 422 | E | B | -1.8114 | |
| 423 | R | B | -2.6485 | |
| 424 | R | B | -2.2465 | |
| 425 | S | B | -1.2332 | |
| 426 | A | B | 0.0000 | |
| 427 | N | B | -1.3059 | |
| 428 | S | B | -0.7502 | |
| 429 | A | B | -0.8667 | |
| 430 | G | B | -0.8673 | |
| 431 | G | B | -0.7903 | |
| 432 | V | B | -0.6996 | |
| 433 | A | B | -0.4686 | |
| 434 | I | B | 0.0000 | |
| 435 | S | B | -0.4707 | |
| 436 | F | B | -0.4068 | |
| 437 | S | B | -0.9841 | |
| 438 | L | B | 0.0000 | |
| 439 | T | B | -1.0983 | |
| 440 | A | B | -1.2390 | |
| 441 | E | B | -2.0682 | |
| 442 | H | B | -1.5917 | |
| 443 | S | B | -1.3803 | |
| 444 | G | B | -1.3710 | |
| 445 | N | B | -1.6428 | |
| 446 | Y | B | 0.0000 | |
| 447 | Y | B | -1.1402 | |
| 448 | C | B | 0.0000 | |
| 449 | T | B | -1.5106 | |
| 450 | A | B | 0.0000 | |
| 451 | D | B | -0.8646 | |
| 452 | N | B | -0.2924 | |
| 453 | G | B | -0.1901 | |
| 454 | F | B | 0.3610 | |
| 455 | G | B | -0.5670 | |
| 456 | P | B | -1.1837 | |
| 457 | Q | B | -1.7718 | |
| 458 | R | B | -2.6138 | |
| 459 | S | B | 0.0000 | |
| 460 | K | B | -2.1011 | |
| 461 | A | B | -1.2718 | |
| 462 | V | B | -0.3014 | |
| 463 | S | B | -0.7173 | |
| 464 | L | B | 0.0000 | |
| 465 | S | B | -0.5261 | |
| 466 | V | B | 0.0000 | |
| 467 | T | B | 0.1355 | |
| 468 | V | B | 0.0000 | |
| 469 | P | B | -0.5726 | |
| 470 | V | B | 0.0000 | |
| 471 | S | B | -1.5708 | |
| 472 | H | B | -2.2607 | |
| 473 | P | B | 0.0000 | |
| 474 | V | B | -0.7409 | |
| 475 | L | B | 0.0000 | |
| 476 | T | B | 0.0578 | |
| 477 | L | B | 0.2521 | |
| 478 | S | B | -0.2940 | |
| 479 | S | B | -0.5143 | |
| 480 | A | B | -0.7733 | |
| 481 | E | B | -1.4799 | |
| 482 | A | B | -0.4027 | |
| 483 | L | B | 0.5705 | |
| 484 | T | B | 0.4711 | |
| 485 | F | B | 0.2303 | |
| 486 | E | B | -0.6930 | |
| 487 | G | B | -0.8015 | |
| 488 | A | B | -0.4780 | |
| 489 | T | B | -0.5233 | |
| 490 | V | B | 0.0000 | |
| 491 | T | B | -0.0344 | |
| 492 | L | B | 0.0000 | |
| 493 | H | B | -0.7046 | |
| 494 | C | B | 0.0000 | |
| 495 | E | B | -2.1331 | |
| 496 | V | B | 0.0000 | |
| 497 | Q | B | -2.1405 | |
| 498 | R | B | -1.8177 | |
| 499 | G | B | -1.1592 | |
| 500 | S | B | -0.7522 | |
| 501 | P | B | -1.2147 | |
| 502 | Q | B | -1.4996 | |
| 503 | I | B | 0.0000 | |
| 504 | L | B | -0.2452 | |
| 505 | Y | B | 0.0000 | |
| 506 | Q | B | -0.2887 | |
| 507 | F | B | 0.0000 | |
| 508 | Y | B | -0.5721 | |
| 509 | H | B | 0.0000 | |
| 510 | E | B | -2.5164 | |
| 511 | D | B | -2.3511 | |
| 512 | M | B | -0.5991 | |
| 513 | P | B | -0.3102 | |
| 514 | L | B | 0.2837 | |
| 515 | W | B | 0.5498 | |
| 516 | S | B | 0.0731 | |
| 517 | S | B | -0.0228 | |
| 518 | S | B | -0.5398 | |
| 519 | T | B | -0.7286 | |
| 520 | P | B | -0.7794 | |
| 521 | S | B | -0.8021 | |
| 522 | V | B | -0.9322 | |
| 523 | G | B | -1.5961 | |
| 524 | R | B | -2.4161 | |
| 525 | V | B | 0.0000 | |
| 526 | S | B | -0.6602 | |
| 527 | F | B | 0.1947 | |
| 528 | S | B | -0.0071 | |
| 529 | F | B | 0.0244 | |
| 530 | S | B | -0.3815 | |
| 531 | L | B | 0.0000 | |
| 532 | T | B | -1.1886 | |
| 533 | E | B | -1.6081 | |
| 534 | G | B | -1.1263 | |
| 535 | H | B | -0.9323 | |
| 536 | S | B | -0.4026 | |
| 537 | G | B | -0.5140 | |
| 538 | N | B | -1.0447 | |
| 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 | -1.1170 | |
| 545 | N | B | -0.8307 | |
| 546 | G | B | -0.5474 | |
| 547 | F | B | 0.1706 | |
| 548 | G | B | -0.5857 | |
| 549 | P | B | -1.2482 | |
| 550 | Q | B | -1.9122 | |
| 551 | R | B | -2.5316 | |
| 552 | S | B | 0.0000 | |
| 553 | E | B | -1.3712 | |
| 554 | V | B | 0.0391 | |
| 555 | V | B | 0.4243 | |
| 556 | S | B | 0.5163 | |
| 557 | L | B | 0.0000 | |
| 558 | F | B | 1.6095 | |
| 559 | V | B | 0.0000 | |
| 560 | T | B | 0.2805 | |
| 561 | V | B | 0.0000 | |
| 562 | P | B | -0.5870 | |
| 563 | V | B | 0.0000 | |
| 564 | S | B | -1.4372 | |
| 565 | R | B | -2.4734 | |
| 566 | P | B | 0.0000 | |
| 567 | I | B | 0.4731 | |
| 568 | L | B | 0.0000 | |
| 569 | T | B | -0.0882 | |
| 570 | L | B | -0.8228 | |
| 571 | R | B | -2.1870 | |
| 572 | V | B | -1.1245 | |
| 573 | P | B | -1.2300 | |
| 574 | R | B | -2.0029 | |
| 575 | A | B | -1.4249 | |
| 576 | Q | B | -1.6341 | |
| 577 | A | B | 0.0000 | |
| 578 | V | B | 0.0000 | |
| 579 | V | B | 0.2757 | |
| 580 | G | B | 0.1017 | |
| 581 | D | B | 0.0000 | |
| 582 | L | B | 0.1514 | |
| 583 | L | B | 0.0000 | |
| 584 | E | B | -1.5060 | |
| 585 | L | B | 0.0000 | |
| 586 | H | B | -1.0579 | |
| 587 | C | B | 0.0000 | |
| 588 | E | B | -1.6612 | |
| 589 | A | B | 0.0000 | |
| 590 | P | B | -1.3377 | |
| 591 | R | B | -1.7695 | |
| 592 | G | B | -1.2730 | |
| 593 | S | B | -0.5908 | |
| 594 | P | B | -0.8159 | |
| 595 | P | B | -0.7044 | |
| 596 | I | B | 0.0000 | |
| 597 | L | B | -0.0999 | |
| 598 | Y | B | 0.0000 | |
| 599 | W | B | 0.2828 | |
| 600 | F | B | 0.0000 | |
| 601 | Y | B | -0.2371 | |
| 602 | H | B | -0.9289 | |
| 603 | E | B | -2.3547 | |
| 604 | D | B | -1.8254 | |
| 605 | V | B | 0.4313 | |
| 606 | T | B | 0.3462 | |
| 607 | L | B | 0.3299 | |
| 608 | G | B | 0.2547 | |
| 609 | S | B | 0.1407 | |
| 610 | S | B | -0.1929 | |
| 611 | S | B | -0.5333 | |
| 612 | A | B | 0.0000 | |
| 613 | P | B | -0.6004 | |
| 614 | S | B | -0.8257 | |
| 615 | G | B | -1.2980 | |
| 616 | G | B | -1.8814 | |
| 617 | E | B | -2.2294 | |
| 618 | A | B | 0.0000 | |
| 619 | S | B | -1.0061 | |
| 620 | F | B | -0.4848 | |
| 621 | N | B | -1.3267 | |
| 622 | L | B | -0.3567 | |
| 623 | S | B | -0.1314 | |
| 624 | L | B | 0.0000 | |
| 625 | T | B | -0.3933 | |
| 626 | A | B | -0.7301 | |
| 627 | E | B | -1.8695 | |
| 628 | H | B | -1.2789 | |
| 629 | S | B | -1.0642 | |
| 630 | G | B | -1.1979 | |
| 631 | N | B | -1.6552 | |
| 632 | Y | B | 0.0000 | |
| 633 | S | B | -0.8979 | |
| 634 | C | B | 0.0000 | |
| 635 | E | B | -0.8803 | |
| 636 | A | B | 0.0000 | |
| 637 | N | B | -0.6127 | |
| 638 | N | B | -0.3869 | |
| 639 | G | B | -0.2261 | |
| 640 | L | B | 0.5743 | |
| 641 | V | B | 0.6003 | |
| 642 | A | B | -0.4336 | |
| 643 | Q | B | -1.6194 | |
| 644 | H | B | -1.7089 | |
| 645 | S | B | 0.0000 | |
| 646 | D | B | -1.8490 | |
| 647 | T | B | -0.9660 | |
| 648 | I | B | -0.1156 | |
| 649 | S | B | -0.4032 | |
| 650 | L | B | -0.2268 | |
| 651 | S | B | -0.6264 | |
| 652 | V | B | 0.0000 | |
| 653 | I | B | 0.1859 | |
| 654 | V | B | 0.0982 | |
| 655 | P | B | -0.7321 | |
| 656 | V | B | 0.0000 | |
| 657 | S | B | -1.2690 | |
| 658 | R | B | -1.7072 | |
| 659 | P | B | 0.0000 | |
| 660 | I | B | 0.1852 | |
| 661 | L | B | 0.0000 | |
| 662 | T | B | -0.3572 | |
| 663 | F | B | -0.7383 | |
| 664 | R | B | -1.9841 | |
| 665 | A | B | -1.2254 | |
| 666 | P | B | -1.2931 | |
| 667 | R | B | -2.1644 | |
| 668 | A | B | -1.3437 | |
| 669 | Q | B | -1.4639 | |
| 670 | A | B | 0.0000 | |
| 671 | V | B | -0.0818 | |
| 672 | V | B | 0.2246 | |
| 673 | G | B | 0.1841 | |
| 674 | D | B | 0.0000 | |
| 675 | L | B | 0.6346 | |
| 676 | L | B | 0.0000 | |
| 677 | E | B | -1.1089 | |
| 678 | L | B | 0.0000 | |
| 679 | H | B | -0.7709 | |
| 680 | C | B | 0.0000 | |
| 681 | E | B | -0.7458 | |
| 682 | A | B | 0.0000 | |
| 683 | L | B | 0.2963 | |
| 684 | R | B | -1.4104 | |
| 685 | G | B | -0.8590 | |
| 686 | S | B | -0.6508 | |
| 687 | S | B | -0.8511 | |
| 688 | P | B | -0.7734 | |
| 689 | I | B | 0.0000 | |
| 690 | L | B | -0.3796 | |
| 691 | Y | B | 0.0000 | |
| 692 | W | B | -0.4819 | |
| 693 | F | B | 0.0000 | |
| 694 | Y | B | -0.1209 | |
| 695 | H | B | -0.3878 | |
| 696 | E | B | -1.5816 | |
| 697 | D | B | -1.5665 | |
| 698 | V | B | 0.4806 | |
| 699 | T | B | 0.1060 | |
| 700 | L | B | 0.0227 | |
| 701 | G | B | -0.3960 | |
| 702 | K | B | -1.2437 | |
| 703 | I | B | -0.2019 | |
| 704 | S | B | -0.4472 | |
| 705 | A | B | 0.0000 | |
| 706 | P | B | -0.5655 | |
| 707 | S | B | -0.6503 | |
| 708 | G | B | -0.8281 | |
| 709 | G | B | -0.8268 | |
| 710 | G | B | -0.4027 | |
| 711 | A | B | 0.0000 | |
| 712 | S | B | -0.8121 | |
| 713 | F | B | -0.5516 | |
| 714 | N | B | -1.1154 | |
| 715 | L | B | -0.1626 | |
| 716 | S | B | 0.0900 | |
| 717 | L | B | 0.0000 | |
| 718 | T | B | -0.4208 | |
| 719 | T | B | -1.0462 | |
| 720 | E | B | -2.0717 | |
| 721 | H | B | -1.4144 | |
| 722 | S | B | -1.3893 | |
| 723 | G | B | -0.7855 | |
| 724 | I | B | -0.1249 | |
| 725 | Y | B | 0.0000 | |
| 726 | S | B | 0.0000 | |
| 727 | C | B | 0.0000 | |
| 728 | E | B | -1.3314 | |
| 729 | A | B | 0.0000 | |
| 730 | D | B | -1.3944 | |
| 731 | N | B | -0.9191 | |
| 732 | G | B | -0.8892 | |
| 733 | L | B | -0.8826 | |
| 734 | E | B | -2.0337 | |
| 735 | A | B | -1.6463 | |
| 736 | Q | B | -1.9509 | |
| 737 | R | B | -1.8944 | |
| 738 | S | B | 0.0000 | |
| 739 | E | B | -0.4229 | |
| 740 | M | B | 0.7774 | |
| 741 | V | B | 0.9988 | |
| 742 | T | B | 0.0666 | |
| 743 | L | B | 0.0000 | |
| 744 | K | B | -1.8659 | |
| 745 | V | B | 0.0000 | |
| 746 | A | B | -0.1190 | |
| 747 | V | B | 0.0698 | |
| 748 | P | B | -0.3759 | |
| 749 | V | B | 0.0000 | |
| 750 | S | B | -1.0582 | |
| 751 | R | B | -1.7029 | |
| 752 | P | B | 0.0000 | |
| 753 | V | B | 0.0493 | |
| 754 | L | B | 0.0000 | |
| 755 | T | B | -0.2871 | |
| 756 | L | B | -0.7702 | |
| 757 | R | B | -2.0173 | |
| 758 | A | B | -1.1464 | |
| 759 | P | B | -0.9418 | |
| 760 | G | B | -1.0701 | |
| 761 | T | B | -0.9885 | |
| 762 | H | B | -0.9258 | |
| 763 | A | B | 0.0000 | |
| 764 | A | B | 0.7523 | |
| 765 | V | B | 1.4396 | |
| 766 | G | B | 0.3829 | |
| 767 | D | B | 0.1704 | |
| 768 | L | B | 0.1248 | |
| 769 | L | B | 0.0000 | |
| 770 | E | B | -1.3287 | |
| 771 | L | B | 0.0000 | |
| 772 | H | B | -0.8607 | |
| 773 | C | B | 0.0000 | |
| 774 | E | B | -0.6593 | |
| 775 | A | B | 0.0000 | |
| 776 | L | B | 0.3269 | |
| 777 | R | B | -1.4576 | |
| 778 | G | B | -0.6153 | |
| 779 | S | B | -0.2480 | |
| 780 | P | B | 0.0837 | |
| 781 | L | B | 0.9535 | |
| 782 | I | B | 0.0000 | |
| 783 | L | B | -0.6160 | |
| 784 | Y | B | 0.0000 | |
| 785 | R | B | -1.9271 | |
| 786 | F | B | 0.0000 | |
| 787 | F | B | -0.7033 | |
| 788 | H | B | -0.9819 | |
| 789 | E | B | -2.3154 | |
| 790 | D | B | -1.8187 | |
| 791 | V | B | 0.4372 | |
| 792 | T | B | -0.0675 | |
| 793 | L | B | -0.0526 | |
| 794 | G | B | -0.9043 | |
| 795 | N | B | -2.2378 | |
| 796 | R | B | -2.1895 | |
| 797 | S | B | -1.0107 | |
| 798 | S | B | -0.4286 | |
| 799 | P | B | -0.0609 | |
| 800 | S | B | -0.5545 | |
| 801 | G | B | -0.7720 | |
| 802 | G | B | -0.6100 | |
| 803 | A | B | 0.0000 | |
| 804 | S | B | -1.0496 | |
| 805 | L | B | -1.1017 | |
| 806 | N | B | -1.2924 | |
| 807 | L | B | -0.2820 | |
| 808 | S | B | -0.0277 | |
| 809 | L | B | 0.0000 | |
| 810 | T | B | -0.1038 | |
| 811 | A | B | -0.3594 | |
| 812 | E | B | -1.6776 | |
| 813 | H | B | -0.8838 | |
| 814 | S | B | -0.5392 | |
| 815 | G | B | -0.7422 | |
| 816 | N | B | -1.2346 | |
| 817 | Y | B | 0.0000 | |
| 818 | S | B | 0.0000 | |
| 819 | C | B | 0.0000 | |
| 820 | E | B | -1.7441 | |
| 821 | A | B | 0.0000 | |
| 822 | D | B | -0.9154 | |
| 823 | N | B | -0.1429 | |
| 824 | G | B | -0.2725 | |
| 825 | L | B | 0.1176 | |
| 826 | G | B | -0.4324 | |
| 827 | A | B | -0.9544 | |
| 828 | Q | B | -1.5691 | |
| 829 | R | B | -2.1301 | |
| 830 | S | B | 0.0000 | |
| 831 | E | B | -1.9276 | |
| 832 | T | B | -1.0607 | |
| 833 | V | B | -0.0378 | |
| 834 | T | B | 0.0925 | |
| 835 | L | B | 0.6338 | |
| 836 | Y | B | 1.1894 | |
| 837 | I | B | 0.6584 | |
| 838 | T | B | 0.5981 | |
| 839 | G | B | 0.6138 | |
| 840 | L | B | 1.4802 | |
| 841 | T | B | 0.3121 | |
| 842 | A | B | -0.6915 | |
| 843 | N | B | -2.2008 | |
| 844 | R | B | -2.6587 | |
| 845 | S | B | -1.6977 | |
| 846 | G | B | -0.7401 | |
| 847 | P | B | 0.4358 | |
| 848 | F | B | 1.6968 | |
| 849 | A | B | 0.9775 | |
| 850 | T | B | 0.5088 | |
| 851 | G | B | 0.5703 | |
| 852 | V | B | 1.4632 | |
| 853 | A | B | 0.6158 | |
| 854 | G | B | 0.0365 | |
| 855 | G | B | 0.4031 | |
| 856 | L | B | 1.9447 | |
| 857 | L | B | 2.5670 | |
| 858 | S | B | 2.0500 | |
| 859 | I | B | 2.3428 | |
| 860 | A | B | 1.4199 | |
| 861 | G | B | 0.9762 | |
| 862 | L | B | 1.5524 | |
| 863 | A | B | 0.6530 | |
| 864 | A | B | 0.3384 | |
| 865 | G | B | 0.1559 | |
| 866 | A | B | 1.1162 | |
| 867 | L | B | 2.5569 | |
| 868 | L | B | 3.1595 | |
| 869 | L | B | 3.5137 | |
| 870 | Y | B | 3.2910 | |
| 871 | C | B | 2.9098 | |
| 872 | W | B | 2.8075 | |
| 873 | L | B | 1.6203 | |
| 874 | S | B | -0.2863 | |
| 875 | R | B | -2.5086 | |
| 876 | K | B | -2.6058 | |
| 877 | A | B | -1.9916 | |
| 878 | G | B | -2.3181 | |
| 879 | R | B | -3.0583 | |
| 880 | K | B | -2.9358 | |
| 881 | P | B | -1.7305 | |
| 882 | A | B | -0.9645 | |
| 883 | S | B | -1.3100 | |
| 884 | D | B | -2.2565 | |
| 885 | P | B | -1.6812 | |
| 886 | A | B | -1.5120 | |
| 887 | R | B | -2.3015 | |
| 888 | S | B | -1.5084 | |
| 889 | P | B | -1.4751 | |
| 890 | S | B | -1.7182 | |
| 891 | D | B | -2.5326 | |
| 892 | S | B | -2.3853 | |
| 893 | D | B | -2.9603 | |
| 894 | S | B | -2.4493 | |
| 895 | Q | B | -2.8217 | |
| 896 | E | B | -2.8377 | |
| 897 | P | B | -1.3716 | |
| 898 | T | B | -0.3077 | |
| 899 | Y | B | 0.3805 | |
| 900 | H | B | -0.5441 | |
| 901 | N | B | -0.6135 | |
| 902 | V | B | 0.9058 | |
| 903 | P | B | 0.4894 | |
| 904 | A | B | 0.3084 | |
| 905 | W | B | -0.0572 | |
| 906 | E | B | -1.7253 | |
| 907 | E | B | -1.9642 | |
| 908 | L | B | -0.2341 | |
| 909 | Q | B | -0.3712 | |
| 910 | P | B | 0.6710 | |
| 911 | V | B | 2.0343 | |
| 912 | Y | B | 1.6163 | |
| 913 | T | B | 0.2634 | |
| 914 | N | B | -1.0685 | |
| 915 | A | B | -1.1184 | |
| 916 | N | B | -2.1271 | |
| 917 | P | B | -2.0149 | |
| 918 | R | B | -2.9997 | |
| 919 | G | B | -2.5990 | |
| 920 | E | B | -2.4561 | |
| 921 | N | B | -0.9416 | |
| 922 | V | B | 1.8394 | |
| 923 | V | B | 2.3985 | |
| 924 | Y | B | 2.1212 | |
| 925 | S | B | 0.5070 | |
| 926 | E | B | -0.7728 | |
| 927 | V | B | 0.9083 | |
| 928 | R | B | -0.1299 | |
| 929 | I | B | 1.7946 | |
| 930 | I | B | 1.3792 | |
| 931 | Q | B | -1.4678 | |
| 932 | E | B | -3.0808 | |
| 933 | K | B | -4.0505 | |
| 934 | K | B | -4.2207 | |
| 935 | K | B | -3.4765 | |
| 936 | H | B | -1.9152 | |
| 937 | A | B | -0.2285 | |
| 938 | V | B | 1.1731 | |
| 939 | A | B | 0.3135 | |
| 940 | S | B | -0.7968 | |
| 941 | D | B | -2.2414 | |
| 942 | P | B | -1.9705 | |
| 943 | R | B | -2.7175 | |
| 944 | H | B | -1.9849 | |
| 945 | L | B | -0.7714 | |
| 946 | R | B | -2.6467 | |
| 947 | N | B | -2.9179 | |
| 948 | K | B | -2.9251 | |
| 949 | G | B | -1.7579 | |
| 950 | S | B | -0.4272 | |
| 951 | P | B | 1.0073 | |
| 952 | I | B | 3.0710 | |
| 953 | I | B | 3.2689 | |
| 954 | Y | B | 2.4257 | |
| 955 | S | B | 0.5762 | |
| 956 | E | B | -0.7414 | |
| 957 | V | B | 0.6455 | |
| 958 | K | B | -0.5140 | |
| 959 | V | B | 1.1570 | |
| 960 | A | B | 0.5303 | |
| 961 | S | B | 0.1724 | |
| 962 | T | B | 0.3150 | |
| 963 | P | B | 0.4110 | |
| 964 | V | B | 1.3673 | |
| 965 | S | B | 0.4626 | |
| 966 | G | B | 0.3250 | |
| 967 | S | B | 1.1537 | |
| 968 | L | B | 2.6566 | |
| 969 | F | B | 3.3365 | |
| 970 | L | B | 2.8264 | |
| 971 | A | B | 1.3341 | |
| 972 | S | B | 0.2702 | |
| 973 | S | B | -0.2815 | |
| 974 | A | B | -0.6595 | |
| 975 | P | B | -1.1870 | |
| 976 | H | B | -2.0160 | |
| 977 | R | B | -2.3739 |
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 | -0.3678 | 6.9736 | View | CSV | PDB |
| 4.5 | -0.4323 | 6.9736 | View | CSV | PDB |
| 5.0 | -0.5139 | 6.9736 | View | CSV | PDB |
| 5.5 | -0.5971 | 6.9736 | View | CSV | PDB |
| 6.0 | -0.6659 | 6.9736 | View | CSV | PDB |
| 6.5 | -0.7094 | 6.9736 | View | CSV | PDB |
| 7.0 | -0.7268 | 6.9736 | View | CSV | PDB |
| 7.5 | -0.7269 | 6.9736 | View | CSV | PDB |
| 8.0 | -0.7183 | 6.9736 | View | CSV | PDB |
| 8.5 | -0.7041 | 6.9736 | View | CSV | PDB |
| 9.0 | -0.6839 | 6.9736 | 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