| Chain sequence(s) |
A: ATVSAEIPYQIFRDFAENKGQFTPGTTNISIYDKQGNLVGKLDKAPMADFSSATITTGSLPPGDHTLYSPQYVVTAKHVSGSDTMSFGYAKNTYTAVGTNNNSGLDIKTRRLSKLVTEVAPAEVSDIGAVSGAYQAGGRFTEFYRLGGGMQYVKDKNGNRTQVYTNGGFLVGGTVSALNSYNNGQMITAQTGDIFNPANGPLANYLNMGDSGSPLFAYDSLQKKWVLIGVLSSGTNYGNNWVVTTQDFLGQQPQNDFDKTIAYTSGEGVLQWKYDAANGTGTLTQGNTTWDMHGKKGNDLNAGKNLLFTGNNGEVVLQNSVNQGAGYLQFAGDYRVSALNGQTWMGGGIITDKGTHVLWQVNGVAGDNLHKTGEGTLTVNGTGVNAGGLKVGDGTVILNQQADADGKVQAFSSVGIASGRPTVVLSDSQQVNPDNISWGYRGGRLELNGNNLTFTRLQAADYGAIITNNSEKKSTVTLDLQTLKASDINVPVNTVSIFGGRGAPGDLYYDSSTKQYFILKASSYSPFFSDLNNSSVWQNVGKDRNKAIDTVKQQKIEASSQPYMYHGQLNGNMDVNIPQLSGKDVLALDGSVNLPEGSITKKSGTLIFQGHPVIHAGTTTSSSQSDWETRQFTLEKLKLDAATFHLSRNGKMQGDINATNGSTVILGSSRVFTDRSDGTGNAVSSVEGSATATTVGDQSDYSGNVTLENKSSLQIMERFTGGIEAYDSTVSVTSQNAVFDRVGSFVNSSLTLGKGAKLTAQSGIFSTGAVDVKENASLTLTGMPSAQKQGYYSPVISTTEGINLEDNASFSVKNMGYLSSDIHAGTTAATINLGDSDADAGKTDSPLFSSLMKGYNAVLRGSITGAQSTVNMINALWYSDGKSEAGALKAKGSRIELGDGKHFATLQVKELSADNTTFLMHTNNSRADQLNVTDKLSGSNNSVLVDFLNKPASEMSVTLITAPKGSDEKTFTAGTQQIGFSNVTPVISTEKTDDATKWVLTGYQTT
B: ATVSAEIPYQIFRDFAENKGQFTPGTTNISIYDKQGNLVGKLDKAPMADFSSATITTGSLPPGDHTLYSPQYVVTAKHVSGSDTMSFGYAKNTYTAVGTNNNSGLDIKTRRLSKLVTEVAPAEVSDIGAVSGAYQAGGRFTEFYRLGGGMQYVKDKNGNRTQVYTNGGFLVGGTVSALNSYNNGQMITAQTGDIFNPANGPLANYLNMGDSGSPLFAYDSLQKKWVLIGVLSSGTNYGNNWVVTTQDFLGQQPQNDFDKTIAYTSGEGVLQWKYDAANGTGTLTQGNTTWDMHGKKGNDLNAGKNLLFTGNNGEVVLQNSVNQGAGYLQFAGDYRVSALNGQTWMGGGIITDKGTHVLWQVNGVAGDNLHKTGEGTLTVNGTGVNAGGLKVGDGTVILNQQADADGKVQAFSSVGIASGRPTVVLSDSQQVNPDNISWGYRGGRLELNGNNLTFTRLQAADYGAIITNNSEKKSTVTLDLQTLKASDINVPVNTVSIFGGRGAPGDLYYDSSTKQYFILKASSYSPFFSDLNNSSVWQNVGKDRNKAIDTVKQQKIEASSQPYMYHGQLNGNMDVNIPQLSGKDVLALDGSVNLPEGSITKKSGTLIFQGHPVIHAGTTTSSSQSDWETRQFTLEKLKLDAATFHLSRNGKMQGDINATNGSTVILGSSRVFTDRSDGTGNAVSSVEGSATATTVGDQSDYSGNVTLENKSSLQIMERFTGGIEAYDSTVSVTSQNAVFDRVGSFVNSSLTLGKGAKLTAQSGIFSTGAVDVKENASLTLTGMPSAQKQGYYSPVISTTEGINLEDNASFSVKNMGYLSSDIHAGTTAATINLGDSDADAGKTDSPLFSSLMKGYNAVLRGSITGAQSTVNMINALWYSDGKSEAGALKAKGSRIELGDGKHFATLQVKELSADNTTFLMHTNNSRADQLNVTDKLSGSNNSVLVDFLNKPASEMSVTLITAPKGSDEKTFTAGTQQIGFSNVTPVISTEKTDDATKWVLTGYQTT 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. (00:00:09)
[INFO] FoldX: Starting FoldX energy minimization (00:00:09)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:20:05)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c75b0541358b161/tmp/folded.pdb (00:20:05)
[INFO] Main: Simulation completed successfully. (00:30:33)
|
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 | A | A | 0.0000 | |
| 2 | T | A | 0.0000 | |
| 3 | V | A | 0.0000 | |
| 4 | S | A | 0.0000 | |
| 5 | A | A | -1.1261 | |
| 6 | E | A | -1.2677 | |
| 7 | I | A | 0.0000 | |
| 8 | P | A | -0.7625 | |
| 9 | Y | A | -0.1678 | |
| 10 | Q | A | -0.3716 | |
| 11 | I | A | -0.0235 | |
| 12 | F | A | 0.0000 | |
| 13 | R | A | -0.4380 | |
| 14 | D | A | 0.0000 | |
| 15 | F | A | 0.0000 | |
| 16 | A | A | 0.0000 | |
| 17 | E | A | -0.5938 | |
| 18 | N | A | 0.0000 | |
| 19 | K | A | -0.6543 | |
| 20 | G | A | -0.7280 | |
| 21 | Q | A | -0.8734 | |
| 22 | F | A | 0.0000 | |
| 23 | T | A | -0.7936 | |
| 24 | P | A | -0.8607 | |
| 25 | G | A | -0.7473 | |
| 26 | T | A | -0.9697 | |
| 27 | T | A | -1.8834 | |
| 28 | N | A | -2.8634 | |
| 29 | I | A | 0.0000 | |
| 30 | S | A | -0.7781 | |
| 31 | I | A | 0.0000 | |
| 32 | Y | A | 0.2767 | |
| 33 | D | A | -1.1662 | |
| 34 | K | A | -2.4977 | |
| 35 | Q | A | -2.4152 | |
| 36 | G | A | -1.5658 | |
| 37 | N | A | -1.0044 | |
| 38 | L | A | 0.7875 | |
| 39 | V | A | 1.1316 | |
| 40 | G | A | -0.4230 | |
| 41 | K | A | -2.3921 | |
| 42 | L | A | 0.0000 | |
| 43 | D | A | -3.7823 | |
| 44 | K | A | -3.1168 | |
| 45 | A | A | 0.0000 | |
| 46 | P | A | -1.6738 | |
| 47 | M | A | 0.0000 | |
| 48 | A | A | 0.0000 | |
| 49 | D | A | -1.0943 | |
| 50 | F | A | 0.0000 | |
| 51 | S | A | -0.3136 | |
| 52 | S | A | 0.0000 | |
| 53 | A | A | 0.0000 | |
| 54 | T | A | 0.0000 | |
| 55 | I | A | 0.0950 | |
| 56 | T | A | -0.2217 | |
| 57 | T | A | 0.0000 | |
| 58 | G | A | -0.9971 | |
| 59 | S | A | -0.8078 | |
| 60 | L | A | -0.5240 | |
| 61 | P | A | -0.0951 | |
| 62 | P | A | 0.0321 | |
| 63 | G | A | 0.0000 | |
| 64 | D | A | 0.0000 | |
| 65 | H | A | 0.0000 | |
| 66 | T | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | Y | A | -0.4907 | |
| 69 | S | A | -0.3183 | |
| 70 | P | A | -0.1065 | |
| 71 | Q | A | 0.0000 | |
| 72 | Y | A | 0.0000 | |
| 73 | V | A | 0.0000 | |
| 74 | V | A | 0.0000 | |
| 75 | T | A | 0.0000 | |
| 76 | A | A | 0.0000 | |
| 77 | K | A | -1.2226 | |
| 78 | H | A | -0.9489 | |
| 79 | V | A | 0.0000 | |
| 80 | S | A | -0.6912 | |
| 81 | G | A | -0.9201 | |
| 82 | S | A | 0.0000 | |
| 83 | D | A | -1.8875 | |
| 84 | T | A | -1.0349 | |
| 85 | M | A | 0.0000 | |
| 86 | S | A | 0.0000 | |
| 87 | F | A | 0.0000 | |
| 88 | G | A | -0.3470 | |
| 89 | Y | A | 0.0000 | |
| 90 | A | A | -0.9590 | |
| 91 | K | A | -1.9387 | |
| 92 | N | A | -0.9560 | |
| 93 | T | A | -0.7039 | |
| 94 | Y | A | 0.0000 | |
| 95 | T | A | -0.5751 | |
| 96 | A | A | 0.0000 | |
| 97 | V | A | -0.3148 | |
| 98 | G | A | -0.3608 | |
| 99 | T | A | -0.5251 | |
| 100 | N | A | -1.0711 | |
| 101 | N | A | -1.7592 | |
| 102 | N | A | -1.2829 | |
| 103 | S | A | -0.9546 | |
| 104 | G | A | -0.8273 | |
| 105 | L | A | -0.8024 | |
| 106 | D | A | -0.9309 | |
| 107 | I | A | 0.0000 | |
| 108 | K | A | 0.0000 | |
| 109 | T | A | 0.0000 | |
| 110 | R | A | 0.0000 | |
| 111 | R | A | 0.0000 | |
| 112 | L | A | 0.0000 | |
| 113 | S | A | -0.0296 | |
| 114 | K | A | -0.2664 | |
| 115 | L | A | 0.0000 | |
| 116 | V | A | 0.0000 | |
| 117 | T | A | 0.0000 | |
| 118 | E | A | 0.0000 | |
| 119 | V | A | 0.0000 | |
| 120 | A | A | -0.4735 | |
| 121 | P | A | -0.4753 | |
| 122 | A | A | -0.9903 | |
| 123 | E | A | -2.2170 | |
| 124 | V | A | 0.0000 | |
| 125 | S | A | 0.0000 | |
| 126 | D | A | -2.2060 | |
| 127 | I | A | -0.3438 | |
| 128 | G | A | 0.0000 | |
| 129 | A | A | -0.2848 | |
| 130 | V | A | 0.9853 | |
| 131 | S | A | -0.4252 | |
| 132 | G | A | -0.5957 | |
| 133 | A | A | -0.3230 | |
| 134 | Y | A | 0.0000 | |
| 135 | Q | A | -1.5453 | |
| 136 | A | A | -1.0010 | |
| 137 | G | A | -0.9704 | |
| 138 | G | A | -1.1830 | |
| 139 | R | A | -0.6532 | |
| 140 | F | A | 0.0000 | |
| 141 | T | A | -0.7259 | |
| 142 | E | A | -0.8646 | |
| 143 | F | A | 0.0000 | |
| 144 | Y | A | 0.0000 | |
| 145 | R | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | G | A | 0.0000 | |
| 149 | G | A | 0.0000 | |
| 150 | M | A | 0.0000 | |
| 151 | Q | A | 0.0000 | |
| 152 | Y | A | 0.0000 | |
| 153 | V | A | -0.4528 | |
| 154 | K | A | -1.8020 | |
| 155 | D | A | -2.5153 | |
| 156 | K | A | -3.1698 | |
| 157 | N | A | -3.0069 | |
| 158 | G | A | -2.7617 | |
| 159 | N | A | -2.7094 | |
| 160 | R | A | -2.1037 | |
| 161 | T | A | -1.1788 | |
| 162 | Q | A | -0.4433 | |
| 163 | V | A | 0.0903 | |
| 164 | Y | A | 0.1796 | |
| 165 | T | A | 0.0000 | |
| 166 | N | A | -1.3616 | |
| 167 | G | A | -1.2820 | |
| 168 | G | A | -0.6658 | |
| 169 | F | A | -0.2959 | |
| 170 | L | A | 0.0000 | |
| 171 | V | A | 0.0000 | |
| 172 | G | A | 0.0000 | |
| 173 | G | A | 0.0000 | |
| 174 | T | A | 0.0000 | |
| 175 | V | A | 0.0000 | |
| 176 | S | A | -0.6553 | |
| 177 | A | A | -0.8448 | |
| 178 | L | A | 0.0000 | |
| 179 | N | A | -1.6070 | |
| 180 | S | A | -1.0191 | |
| 181 | Y | A | -0.8333 | |
| 182 | N | A | -1.7891 | |
| 183 | N | A | -1.7177 | |
| 184 | G | A | 0.0000 | |
| 185 | Q | A | -0.9589 | |
| 186 | M | A | 0.0000 | |
| 187 | I | A | 0.0000 | |
| 188 | T | A | -0.7642 | |
| 189 | A | A | 0.0000 | |
| 190 | Q | A | -1.5594 | |
| 191 | T | A | 0.0000 | |
| 192 | G | A | -0.9049 | |
| 193 | D | A | -2.1200 | |
| 194 | I | A | 0.0000 | |
| 195 | F | A | -0.6897 | |
| 196 | N | A | -1.2077 | |
| 197 | P | A | -0.5266 | |
| 198 | A | A | -0.5886 | |
| 199 | N | A | 0.0000 | |
| 200 | G | A | -0.3359 | |
| 201 | P | A | 0.0651 | |
| 202 | L | A | 0.0000 | |
| 203 | A | A | 0.0000 | |
| 204 | N | A | 0.0000 | |
| 205 | Y | A | 0.0000 | |
| 206 | L | A | 0.0000 | |
| 207 | N | A | -0.2386 | |
| 208 | M | A | -0.0355 | |
| 209 | G | A | 0.0003 | |
| 210 | D | A | 0.0000 | |
| 211 | S | A | -0.2362 | |
| 212 | G | A | 0.0000 | |
| 213 | S | A | 0.0000 | |
| 214 | P | A | 0.0000 | |
| 215 | L | A | 0.0000 | |
| 216 | F | A | 0.0000 | |
| 217 | A | A | 0.0000 | |
| 218 | Y | A | -0.7229 | |
| 219 | D | A | 0.0000 | |
| 220 | S | A | -0.6559 | |
| 221 | L | A | 0.4714 | |
| 222 | Q | A | -0.8996 | |
| 223 | K | A | -1.8958 | |
| 224 | K | A | -1.8884 | |
| 225 | W | A | -1.2395 | |
| 226 | V | A | 0.0000 | |
| 227 | L | A | 0.0000 | |
| 228 | I | A | 0.0000 | |
| 229 | G | A | 0.0000 | |
| 230 | V | A | 0.0000 | |
| 231 | L | A | 0.0000 | |
| 232 | S | A | -0.3592 | |
| 233 | S | A | -0.3516 | |
| 234 | G | A | -0.2912 | |
| 235 | T | A | -0.3586 | |
| 236 | N | A | -0.6947 | |
| 237 | Y | A | 0.1765 | |
| 238 | G | A | 0.0000 | |
| 239 | N | A | 0.0000 | |
| 240 | N | A | -0.4660 | |
| 241 | W | A | 0.0000 | |
| 242 | V | A | 0.0000 | |
| 243 | V | A | 0.0000 | |
| 244 | T | A | 0.0000 | |
| 245 | T | A | -1.1785 | |
| 246 | Q | A | -2.2695 | |
| 247 | D | A | -2.5651 | |
| 248 | F | A | 0.0000 | |
| 249 | L | A | 0.0000 | |
| 250 | G | A | -1.8156 | |
| 251 | Q | A | -2.1408 | |
| 252 | Q | A | 0.0000 | |
| 253 | P | A | -1.2844 | |
| 254 | Q | A | -2.0848 | |
| 255 | N | A | -2.0668 | |
| 256 | D | A | 0.0000 | |
| 257 | F | A | -1.0304 | |
| 258 | D | A | -1.6465 | |
| 259 | K | A | -1.9234 | |
| 260 | T | A | -0.8598 | |
| 261 | I | A | 0.0000 | |
| 262 | A | A | -0.3104 | |
| 263 | Y | A | -0.8816 | |
| 264 | T | A | -1.1234 | |
| 265 | S | A | -1.5354 | |
| 266 | G | A | -1.4007 | |
| 267 | E | A | -2.1761 | |
| 268 | G | A | -1.4380 | |
| 269 | V | A | -0.7008 | |
| 270 | L | A | 0.0000 | |
| 271 | Q | A | -0.8074 | |
| 272 | W | A | 0.0000 | |
| 273 | K | A | -2.1314 | |
| 274 | Y | A | 0.0000 | |
| 275 | D | A | -2.5287 | |
| 276 | A | A | -1.8554 | |
| 277 | A | A | -1.4890 | |
| 278 | N | A | -2.2289 | |
| 279 | G | A | 0.0000 | |
| 280 | T | A | -1.7784 | |
| 281 | G | A | -1.7300 | |
| 282 | T | A | -1.3929 | |
| 283 | L | A | 0.0000 | |
| 284 | T | A | -0.9061 | |
| 285 | Q | A | 0.0000 | |
| 286 | G | A | -1.6677 | |
| 287 | N | A | -1.7550 | |
| 288 | T | A | -0.8012 | |
| 289 | T | A | -0.7820 | |
| 290 | W | A | -1.0091 | |
| 291 | D | A | -1.8413 | |
| 292 | M | A | 0.0000 | |
| 293 | H | A | -1.4734 | |
| 294 | G | A | 0.0000 | |
| 295 | K | A | -2.1132 | |
| 296 | K | A | -2.7776 | |
| 297 | G | A | -2.3230 | |
| 298 | N | A | -2.4967 | |
| 299 | D | A | -2.4571 | |
| 300 | L | A | -1.2340 | |
| 301 | N | A | -1.0159 | |
| 302 | A | A | -1.3643 | |
| 303 | G | A | 0.0000 | |
| 304 | K | A | -0.7777 | |
| 305 | N | A | 0.0000 | |
| 306 | L | A | 0.0000 | |
| 307 | L | A | -0.0205 | |
| 308 | F | A | 0.0000 | |
| 309 | T | A | -0.5252 | |
| 310 | G | A | -1.3130 | |
| 311 | N | A | -2.5434 | |
| 312 | N | A | -2.8278 | |
| 313 | G | A | 0.0000 | |
| 314 | E | A | -1.9963 | |
| 315 | V | A | 0.0000 | |
| 316 | V | A | -0.2415 | |
| 317 | L | A | 0.0000 | |
| 318 | Q | A | -0.8595 | |
| 319 | N | A | -1.5268 | |
| 320 | S | A | -1.0329 | |
| 321 | V | A | 0.0000 | |
| 322 | N | A | -0.6092 | |
| 323 | Q | A | 0.0000 | |
| 324 | G | A | 0.0000 | |
| 325 | A | A | 0.0000 | |
| 326 | G | A | 0.0000 | |
| 327 | Y | A | 0.0000 | |
| 328 | L | A | 0.0000 | |
| 329 | Q | A | -0.1740 | |
| 330 | F | A | 0.0000 | |
| 331 | A | A | -0.8244 | |
| 332 | G | A | 0.0000 | |
| 333 | D | A | -2.2490 | |
| 334 | Y | A | 0.0000 | |
| 335 | R | A | -2.7176 | |
| 336 | V | A | 0.0000 | |
| 337 | S | A | -0.6157 | |
| 338 | A | A | -0.0453 | |
| 339 | L | A | 0.4988 | |
| 340 | N | A | -0.9832 | |
| 341 | G | A | -0.9576 | |
| 342 | Q | A | -0.6226 | |
| 343 | T | A | -0.3969 | |
| 344 | W | A | 0.0000 | |
| 345 | M | A | -0.0400 | |
| 346 | G | A | 0.0000 | |
| 347 | G | A | 0.0000 | |
| 348 | G | A | 0.0000 | |
| 349 | I | A | 0.0000 | |
| 350 | I | A | 0.0000 | |
| 351 | T | A | 0.0000 | |
| 352 | D | A | -2.0852 | |
| 353 | K | A | -2.9045 | |
| 354 | G | A | -1.9639 | |
| 355 | T | A | 0.0000 | |
| 356 | H | A | -1.8333 | |
| 357 | V | A | 0.0000 | |
| 358 | L | A | -1.1322 | |
| 359 | W | A | 0.0000 | |
| 360 | Q | A | -0.8904 | |
| 361 | V | A | 0.0000 | |
| 362 | N | A | -0.2238 | |
| 363 | G | A | -0.1285 | |
| 364 | V | A | 0.1987 | |
| 365 | A | A | -0.1005 | |
| 366 | G | A | -0.5843 | |
| 367 | D | A | -0.6158 | |
| 368 | N | A | -0.9841 | |
| 369 | L | A | -0.3624 | |
| 370 | H | A | 0.0000 | |
| 371 | K | A | 0.0000 | |
| 372 | T | A | 0.0000 | |
| 373 | G | A | -1.7294 | |
| 374 | E | A | -2.9575 | |
| 375 | G | A | 0.0000 | |
| 376 | T | A | -1.0597 | |
| 377 | L | A | 0.0000 | |
| 378 | T | A | -0.3226 | |
| 379 | V | A | 0.0000 | |
| 380 | N | A | -1.0870 | |
| 381 | G | A | 0.0000 | |
| 382 | T | A | -1.1106 | |
| 383 | G | A | 0.0000 | |
| 384 | V | A | 0.1122 | |
| 385 | N | A | 0.0000 | |
| 386 | A | A | 0.1407 | |
| 387 | G | A | 0.0000 | |
| 388 | G | A | -0.6220 | |
| 389 | L | A | 0.0000 | |
| 390 | K | A | -0.6177 | |
| 391 | V | A | 0.0000 | |
| 392 | G | A | 0.0000 | |
| 393 | D | A | -1.2010 | |
| 394 | G | A | -1.6056 | |
| 395 | T | A | -0.5411 | |
| 396 | V | A | 0.0000 | |
| 397 | I | A | 0.3645 | |
| 398 | L | A | 0.0000 | |
| 399 | N | A | -1.2364 | |
| 400 | Q | A | 0.0000 | |
| 401 | Q | A | -1.9301 | |
| 402 | A | A | -1.9703 | |
| 403 | D | A | -2.2455 | |
| 404 | A | A | -1.7617 | |
| 405 | D | A | -2.7090 | |
| 406 | G | A | -2.4286 | |
| 407 | K | A | -2.6719 | |
| 408 | V | A | -1.4920 | |
| 409 | Q | A | -0.8927 | |
| 410 | A | A | 0.0000 | |
| 411 | F | A | 0.0000 | |
| 412 | S | A | -0.5123 | |
| 413 | S | A | -0.7637 | |
| 414 | V | A | 0.0000 | |
| 415 | G | A | -0.4170 | |
| 416 | I | A | 0.0000 | |
| 417 | A | A | 0.0000 | |
| 418 | S | A | -0.6723 | |
| 419 | G | A | -0.9940 | |
| 420 | R | A | -1.3789 | |
| 421 | P | A | 0.0000 | |
| 422 | T | A | -0.3032 | |
| 423 | V | A | 0.0000 | |
| 424 | V | A | 0.0443 | |
| 425 | L | A | 0.0000 | |
| 426 | S | A | -0.7545 | |
| 427 | D | A | -1.4424 | |
| 428 | S | A | -1.7139 | |
| 429 | Q | A | -2.1189 | |
| 430 | Q | A | 0.0000 | |
| 431 | V | A | 0.0000 | |
| 432 | N | A | -1.7467 | |
| 433 | P | A | -1.2495 | |
| 434 | D | A | -1.2223 | |
| 435 | N | A | -1.1454 | |
| 436 | I | A | 0.0000 | |
| 437 | S | A | -0.5292 | |
| 438 | W | A | 0.0000 | |
| 439 | G | A | -0.5180 | |
| 440 | Y | A | -0.2981 | |
| 441 | R | A | -0.7370 | |
| 442 | G | A | 0.0000 | |
| 443 | G | A | 0.0000 | |
| 444 | R | A | -0.5851 | |
| 445 | L | A | 0.0000 | |
| 446 | E | A | 0.0000 | |
| 447 | L | A | 0.0000 | |
| 448 | N | A | -2.0683 | |
| 449 | G | A | 0.0000 | |
| 450 | N | A | -1.8441 | |
| 451 | N | A | -1.8084 | |
| 452 | L | A | 0.0000 | |
| 453 | T | A | -0.9620 | |
| 454 | F | A | 0.0000 | |
| 455 | T | A | -1.1490 | |
| 456 | R | A | -1.5746 | |
| 457 | L | A | -0.7069 | |
| 458 | Q | A | -0.9145 | |
| 459 | A | A | -0.4407 | |
| 460 | A | A | -0.4380 | |
| 461 | D | A | -0.2030 | |
| 462 | Y | A | 0.2381 | |
| 463 | G | A | -0.3298 | |
| 464 | A | A | 0.0000 | |
| 465 | I | A | -0.0106 | |
| 466 | I | A | 0.0000 | |
| 467 | T | A | 0.0000 | |
| 468 | N | A | 0.0000 | |
| 469 | N | A | -2.4346 | |
| 470 | S | A | -2.6999 | |
| 471 | E | A | -3.5018 | |
| 472 | K | A | -3.6879 | |
| 473 | K | A | -3.6305 | |
| 474 | S | A | 0.0000 | |
| 475 | T | A | -1.2906 | |
| 476 | V | A | 0.0000 | |
| 477 | T | A | -0.7233 | |
| 478 | L | A | 0.0000 | |
| 479 | D | A | -1.4339 | |
| 480 | L | A | 0.0000 | |
| 481 | Q | A | -1.1927 | |
| 482 | T | A | -0.9141 | |
| 483 | L | A | -1.1809 | |
| 484 | K | A | -1.3077 | |
| 485 | A | A | -1.6849 | |
| 486 | S | A | -1.4768 | |
| 487 | D | A | -2.3519 | |
| 488 | I | A | 0.0000 | |
| 489 | N | A | -1.6533 | |
| 490 | V | A | -0.8601 | |
| 491 | P | A | -0.2351 | |
| 492 | V | A | 0.1321 | |
| 493 | N | A | -0.2091 | |
| 494 | T | A | 0.0758 | |
| 495 | V | A | 0.0000 | |
| 496 | S | A | 1.7571 | |
| 497 | I | A | 3.7539 | |
| 498 | F | A | 3.5223 | |
| 499 | G | A | 1.2355 | |
| 500 | G | A | -0.5381 | |
| 501 | R | A | -2.1005 | |
| 502 | G | A | -1.5346 | |
| 503 | A | A | -0.9902 | |
| 504 | P | A | -1.0594 | |
| 505 | G | A | -1.0559 | |
| 506 | D | A | -0.8154 | |
| 507 | L | A | 0.0000 | |
| 508 | Y | A | 0.0000 | |
| 509 | Y | A | -0.7063 | |
| 510 | D | A | 0.0000 | |
| 511 | S | A | -0.8686 | |
| 512 | S | A | -0.8402 | |
| 513 | T | A | -1.0172 | |
| 514 | K | A | -2.0166 | |
| 515 | Q | A | -2.3985 | |
| 516 | Y | A | 0.0000 | |
| 517 | F | A | -0.9929 | |
| 518 | I | A | 0.0000 | |
| 519 | L | A | 0.0000 | |
| 520 | K | A | -1.9001 | |
| 521 | A | A | -1.2483 | |
| 522 | S | A | -1.2066 | |
| 523 | S | A | -1.3186 | |
| 524 | Y | A | 0.0000 | |
| 525 | S | A | 0.8111 | |
| 526 | P | A | 2.4924 | |
| 527 | F | A | 3.5783 | |
| 528 | F | A | 2.2768 | |
| 529 | S | A | 0.8422 | |
| 530 | D | A | -0.4965 | |
| 531 | L | A | -0.5741 | |
| 532 | N | A | -1.7828 | |
| 533 | N | A | -1.5442 | |
| 534 | S | A | -1.4396 | |
| 535 | S | A | -1.0371 | |
| 536 | V | A | -1.0868 | |
| 537 | W | A | 0.0000 | |
| 538 | Q | A | -1.5562 | |
| 539 | N | A | -1.8450 | |
| 540 | V | A | -1.6955 | |
| 541 | G | A | -2.5998 | |
| 542 | K | A | -3.7802 | |
| 543 | D | A | -3.6872 | |
| 544 | R | A | -4.0187 | |
| 545 | N | A | -3.8791 | |
| 546 | K | A | -4.0633 | |
| 547 | A | A | 0.0000 | |
| 548 | I | A | -2.3580 | |
| 549 | D | A | -3.2566 | |
| 550 | T | A | -2.0495 | |
| 551 | V | A | 0.0000 | |
| 552 | K | A | -2.4106 | |
| 553 | Q | A | -2.6458 | |
| 554 | Q | A | -2.1894 | |
| 555 | K | A | -1.9858 | |
| 556 | I | A | 0.0000 | |
| 557 | E | A | -2.8676 | |
| 558 | A | A | -1.5805 | |
| 559 | S | A | -1.2064 | |
| 560 | S | A | -1.4852 | |
| 561 | Q | A | -1.2488 | |
| 562 | P | A | 0.0000 | |
| 563 | Y | A | -0.2728 | |
| 564 | M | A | 0.0000 | |
| 565 | Y | A | 0.0000 | |
| 566 | H | A | 0.0000 | |
| 567 | G | A | 0.0000 | |
| 568 | Q | A | -0.1728 | |
| 569 | L | A | 0.0000 | |
| 570 | N | A | -0.6446 | |
| 571 | G | A | -1.2596 | |
| 572 | N | A | -2.4807 | |
| 573 | M | A | 0.0000 | |
| 574 | D | A | -1.2330 | |
| 575 | V | A | 0.0000 | |
| 576 | N | A | -0.9162 | |
| 577 | I | A | 0.0000 | |
| 578 | P | A | -1.4243 | |
| 579 | Q | A | -1.9421 | |
| 580 | L | A | 0.0000 | |
| 581 | S | A | -1.5627 | |
| 582 | G | A | -2.1165 | |
| 583 | K | A | -2.0234 | |
| 584 | D | A | -1.3067 | |
| 585 | V | A | -0.5204 | |
| 586 | L | A | 0.0000 | |
| 587 | A | A | 0.0000 | |
| 588 | L | A | 0.0000 | |
| 589 | D | A | 0.0000 | |
| 590 | G | A | 0.0000 | |
| 591 | S | A | 0.0000 | |
| 592 | V | A | 0.0000 | |
| 593 | N | A | -1.1485 | |
| 594 | L | A | 0.0000 | |
| 595 | P | A | -1.9359 | |
| 596 | E | A | -2.8650 | |
| 597 | G | A | 0.0000 | |
| 598 | S | A | 0.0000 | |
| 599 | I | A | 0.0000 | |
| 600 | T | A | -0.9351 | |
| 601 | K | A | 0.0000 | |
| 602 | K | A | -1.6739 | |
| 603 | S | A | -1.1898 | |
| 604 | G | A | -0.8978 | |
| 605 | T | A | -0.4617 | |
| 606 | L | A | 0.0000 | |
| 607 | I | A | 0.0000 | |
| 608 | F | A | 0.0000 | |
| 609 | Q | A | 0.0000 | |
| 610 | G | A | 0.0000 | |
| 611 | H | A | 0.0000 | |
| 612 | P | A | 0.0000 | |
| 613 | V | A | -0.3554 | |
| 614 | I | A | -0.1867 | |
| 615 | H | A | -0.4754 | |
| 616 | A | A | 0.0000 | |
| 617 | G | A | -0.6370 | |
| 618 | T | A | -0.6043 | |
| 619 | T | A | -0.7459 | |
| 620 | T | A | 0.0000 | |
| 621 | S | A | -0.7280 | |
| 622 | S | A | -0.7081 | |
| 623 | S | A | -0.5631 | |
| 624 | Q | A | -0.6101 | |
| 625 | S | A | -0.7775 | |
| 626 | D | A | -1.0815 | |
| 627 | W | A | 0.0000 | |
| 628 | E | A | -0.9691 | |
| 629 | T | A | -1.0013 | |
| 630 | R | A | 0.0000 | |
| 631 | Q | A | -1.2755 | |
| 632 | F | A | 0.0000 | |
| 633 | T | A | -1.4310 | |
| 634 | L | A | 0.0000 | |
| 635 | E | A | -2.8808 | |
| 636 | K | A | -2.2901 | |
| 637 | L | A | 0.0000 | |
| 638 | K | A | -1.5270 | |
| 639 | L | A | 0.0000 | |
| 640 | D | A | -1.2979 | |
| 641 | A | A | -1.2439 | |
| 642 | A | A | 0.0000 | |
| 643 | T | A | -0.1854 | |
| 644 | F | A | 0.0000 | |
| 645 | H | A | 0.0000 | |
| 646 | L | A | 0.0000 | |
| 647 | S | A | 0.0000 | |
| 648 | R | A | 0.0000 | |
| 649 | N | A | 0.0000 | |
| 650 | G | A | 0.0000 | |
| 651 | K | A | -1.6216 | |
| 652 | M | A | 0.0000 | |
| 653 | Q | A | -1.5390 | |
| 654 | G | A | -1.4405 | |
| 655 | D | A | -1.5850 | |
| 656 | I | A | 0.0000 | |
| 657 | N | A | -1.2017 | |
| 658 | A | A | 0.0000 | |
| 659 | T | A | -2.0074 | |
| 660 | N | A | -2.3494 | |
| 661 | G | A | -2.1720 | |
| 662 | S | A | 0.0000 | |
| 663 | T | A | -0.4836 | |
| 664 | V | A | 0.0000 | |
| 665 | I | A | 0.0491 | |
| 666 | L | A | 0.0000 | |
| 667 | G | A | -0.3863 | |
| 668 | S | A | 0.0000 | |
| 669 | S | A | -0.5777 | |
| 670 | R | A | -1.3200 | |
| 671 | V | A | 0.0000 | |
| 672 | F | A | 0.0000 | |
| 673 | T | A | 0.0000 | |
| 674 | D | A | 0.0000 | |
| 675 | R | A | -1.9463 | |
| 676 | S | A | -1.2837 | |
| 677 | D | A | 0.0000 | |
| 678 | G | A | -0.6683 | |
| 679 | T | A | -1.0343 | |
| 680 | G | A | -1.0893 | |
| 681 | N | A | -1.7566 | |
| 682 | A | A | -0.7199 | |
| 683 | V | A | -0.3912 | |
| 684 | S | A | -0.6624 | |
| 685 | S | A | -0.6838 | |
| 686 | V | A | -0.9283 | |
| 687 | E | A | -1.9289 | |
| 688 | G | A | -1.2756 | |
| 689 | S | A | -1.0400 | |
| 690 | A | A | 0.0000 | |
| 691 | T | A | -0.4891 | |
| 692 | A | A | 0.0000 | |
| 693 | T | A | 0.0425 | |
| 694 | T | A | 0.4569 | |
| 695 | V | A | 1.0637 | |
| 696 | G | A | -0.1923 | |
| 697 | D | A | -0.6390 | |
| 698 | Q | A | -0.5487 | |
| 699 | S | A | 0.0000 | |
| 700 | D | A | -1.2245 | |
| 701 | Y | A | 0.0000 | |
| 702 | S | A | -0.8673 | |
| 703 | G | A | -1.1597 | |
| 704 | N | A | 0.0000 | |
| 705 | V | A | 0.0000 | |
| 706 | T | A | -0.7950 | |
| 707 | L | A | 0.0000 | |
| 708 | E | A | -2.8802 | |
| 709 | N | A | -2.8909 | |
| 710 | K | A | -3.1136 | |
| 711 | S | A | 0.0000 | |
| 712 | S | A | -0.9936 | |
| 713 | L | A | 0.0000 | |
| 714 | Q | A | -0.1727 | |
| 715 | I | A | 0.0000 | |
| 716 | M | A | -0.4256 | |
| 717 | E | A | -0.9054 | |
| 718 | R | A | -1.5485 | |
| 719 | F | A | 0.0000 | |
| 720 | T | A | -0.9584 | |
| 721 | G | A | 0.0000 | |
| 722 | G | A | 0.0000 | |
| 723 | I | A | 0.0000 | |
| 724 | E | A | -0.4659 | |
| 725 | A | A | 0.0000 | |
| 726 | Y | A | -1.3429 | |
| 727 | D | A | -2.5803 | |
| 728 | S | A | 0.0000 | |
| 729 | T | A | -1.1692 | |
| 730 | V | A | 0.0000 | |
| 731 | S | A | -0.2063 | |
| 732 | V | A | 0.0000 | |
| 733 | T | A | -1.1453 | |
| 734 | S | A | 0.0000 | |
| 735 | Q | A | -2.5677 | |
| 736 | N | A | -2.3632 | |
| 737 | A | A | 0.0000 | |
| 738 | V | A | -1.0277 | |
| 739 | F | A | 0.0000 | |
| 740 | D | A | -1.3371 | |
| 741 | R | A | -1.6262 | |
| 742 | V | A | 0.0241 | |
| 743 | G | A | 0.0000 | |
| 744 | S | A | 0.3179 | |
| 745 | F | A | 0.0000 | |
| 746 | V | A | -0.2165 | |
| 747 | N | A | -1.3641 | |
| 748 | S | A | 0.0000 | |
| 749 | S | A | -0.6257 | |
| 750 | L | A | 0.0000 | |
| 751 | T | A | -0.6787 | |
| 752 | L | A | 0.0000 | |
| 753 | G | A | -1.8442 | |
| 754 | K | A | -3.2126 | |
| 755 | G | A | -2.4442 | |
| 756 | A | A | 0.0000 | |
| 757 | K | A | -2.3655 | |
| 758 | L | A | 0.0000 | |
| 759 | T | A | -0.6855 | |
| 760 | A | A | 0.0000 | |
| 761 | Q | A | -0.3723 | |
| 762 | S | A | -0.0223 | |
| 763 | G | A | 0.0000 | |
| 764 | I | A | 0.0000 | |
| 765 | F | A | 1.1441 | |
| 766 | S | A | 0.0000 | |
| 767 | T | A | -0.5796 | |
| 768 | G | A | -0.9654 | |
| 769 | A | A | -1.1200 | |
| 770 | V | A | 0.0000 | |
| 771 | D | A | -1.1566 | |
| 772 | V | A | 0.0000 | |
| 773 | K | A | -2.7283 | |
| 774 | E | A | -3.5071 | |
| 775 | N | A | -3.3447 | |
| 776 | A | A | 0.0000 | |
| 777 | S | A | -1.5702 | |
| 778 | L | A | 0.0000 | |
| 779 | T | A | -0.3486 | |
| 780 | L | A | 0.0000 | |
| 781 | T | A | 0.0000 | |
| 782 | G | A | 0.0000 | |
| 783 | M | A | 0.1163 | |
| 784 | P | A | -0.6123 | |
| 785 | S | A | -1.2566 | |
| 786 | A | A | -1.0407 | |
| 787 | Q | A | -2.0049 | |
| 788 | K | A | -2.6129 | |
| 789 | Q | A | -2.2316 | |
| 790 | G | A | -1.7400 | |
| 791 | Y | A | -1.5997 | |
| 792 | Y | A | -0.7122 | |
| 793 | S | A | -0.0990 | |
| 794 | P | A | 0.9085 | |
| 795 | V | A | 1.4150 | |
| 796 | I | A | 2.1631 | |
| 797 | S | A | 0.0000 | |
| 798 | T | A | 0.1012 | |
| 799 | T | A | 0.0000 | |
| 800 | E | A | -1.9794 | |
| 801 | G | A | 0.0000 | |
| 802 | I | A | 0.0000 | |
| 803 | N | A | -1.2184 | |
| 804 | L | A | 0.0000 | |
| 805 | E | A | -2.5972 | |
| 806 | D | A | -2.6095 | |
| 807 | N | A | -2.8874 | |
| 808 | A | A | 0.0000 | |
| 809 | S | A | -1.2085 | |
| 810 | F | A | 0.0000 | |
| 811 | S | A | 0.0000 | |
| 812 | V | A | 0.0000 | |
| 813 | K | A | -0.7634 | |
| 814 | N | A | 0.0000 | |
| 815 | M | A | 0.0000 | |
| 816 | G | A | 0.0000 | |
| 817 | Y | A | 0.0000 | |
| 818 | L | A | 0.0000 | |
| 819 | S | A | -0.6122 | |
| 820 | S | A | 0.0000 | |
| 821 | D | A | -1.9191 | |
| 822 | I | A | 0.0000 | |
| 823 | H | A | -1.2048 | |
| 824 | A | A | 0.0000 | |
| 825 | G | A | -1.2009 | |
| 826 | T | A | -0.9210 | |
| 827 | T | A | -1.4103 | |
| 828 | A | A | -1.3840 | |
| 829 | A | A | 0.0000 | |
| 830 | T | A | -0.7188 | |
| 831 | I | A | 0.0000 | |
| 832 | N | A | -0.5229 | |
| 833 | L | A | 0.0000 | |
| 834 | G | A | 0.0000 | |
| 835 | D | A | -1.4603 | |
| 836 | S | A | -1.5859 | |
| 837 | D | A | -2.3370 | |
| 838 | A | A | -1.7841 | |
| 839 | D | A | -2.5567 | |
| 840 | A | A | -1.9847 | |
| 841 | G | A | -1.7317 | |
| 842 | K | A | -2.4523 | |
| 843 | T | A | -1.5402 | |
| 844 | D | A | -2.0083 | |
| 845 | S | A | -0.7503 | |
| 846 | P | A | -0.1728 | |
| 847 | L | A | 0.3712 | |
| 848 | F | A | 0.0037 | |
| 849 | S | A | -0.3596 | |
| 850 | S | A | -0.2038 | |
| 851 | L | A | 0.3333 | |
| 852 | M | A | 0.0000 | |
| 853 | K | A | -1.2731 | |
| 854 | G | A | -0.9352 | |
| 855 | Y | A | -0.8712 | |
| 856 | N | A | -0.9791 | |
| 857 | A | A | 0.0000 | |
| 858 | V | A | 0.0000 | |
| 859 | L | A | 0.0000 | |
| 860 | R | A | -1.4139 | |
| 861 | G | A | 0.0000 | |
| 862 | S | A | 0.0000 | |
| 863 | I | A | 0.0000 | |
| 864 | T | A | -1.3388 | |
| 865 | G | A | 0.0000 | |
| 866 | A | A | -1.2258 | |
| 867 | Q | A | -1.5761 | |
| 868 | S | A | 0.0000 | |
| 869 | T | A | -0.6122 | |
| 870 | V | A | 0.0000 | |
| 871 | N | A | -0.8229 | |
| 872 | M | A | 0.0000 | |
| 873 | I | A | -1.5050 | |
| 874 | N | A | -1.8743 | |
| 875 | A | A | 0.0000 | |
| 876 | L | A | 0.0000 | |
| 877 | W | A | 0.0000 | |
| 878 | Y | A | -0.8755 | |
| 879 | S | A | 0.0000 | |
| 880 | D | A | -2.2543 | |
| 881 | G | A | -2.0383 | |
| 882 | K | A | -2.3204 | |
| 883 | S | A | 0.0000 | |
| 884 | E | A | -1.8701 | |
| 885 | A | A | 0.0000 | |
| 886 | G | A | -1.3352 | |
| 887 | A | A | -1.3463 | |
| 888 | L | A | 0.0000 | |
| 889 | K | A | -1.3505 | |
| 890 | A | A | 0.0000 | |
| 891 | K | A | -2.5491 | |
| 892 | G | A | -2.1408 | |
| 893 | S | A | 0.0000 | |
| 894 | R | A | -1.0607 | |
| 895 | I | A | 0.0000 | |
| 896 | E | A | -0.7411 | |
| 897 | L | A | 0.0000 | |
| 898 | G | A | 0.0000 | |
| 899 | D | A | -2.3002 | |
| 900 | G | A | -1.9472 | |
| 901 | K | A | -2.4362 | |
| 902 | H | A | -2.0614 | |
| 903 | F | A | -1.4610 | |
| 904 | A | A | 0.0000 | |
| 905 | T | A | -1.1753 | |
| 906 | L | A | 0.0000 | |
| 907 | Q | A | -1.5910 | |
| 908 | V | A | 0.0000 | |
| 909 | K | A | -2.3651 | |
| 910 | E | A | -2.0908 | |
| 911 | L | A | 0.0000 | |
| 912 | S | A | -1.2165 | |
| 913 | A | A | 0.0000 | |
| 914 | D | A | -2.9622 | |
| 915 | N | A | -3.0154 | |
| 916 | T | A | 0.0000 | |
| 917 | T | A | -1.0426 | |
| 918 | F | A | 0.0000 | |
| 919 | L | A | 0.0000 | |
| 920 | M | A | 0.0000 | |
| 921 | H | A | 0.0000 | |
| 922 | T | A | 0.0000 | |
| 923 | N | A | -1.9055 | |
| 924 | N | A | -1.7605 | |
| 925 | S | A | -1.4250 | |
| 926 | R | A | -2.1405 | |
| 927 | A | A | 0.0000 | |
| 928 | D | A | 0.0000 | |
| 929 | Q | A | -0.8865 | |
| 930 | L | A | 0.0000 | |
| 931 | N | A | -1.1431 | |
| 932 | V | A | 0.0000 | |
| 933 | T | A | -2.0192 | |
| 934 | D | A | -3.0983 | |
| 935 | K | A | -2.8566 | |
| 936 | L | A | -1.6801 | |
| 937 | S | A | -1.0512 | |
| 938 | G | A | -1.7906 | |
| 939 | S | A | -2.3104 | |
| 940 | N | A | -2.5489 | |
| 941 | N | A | 0.0000 | |
| 942 | S | A | -1.0243 | |
| 943 | V | A | 0.0000 | |
| 944 | L | A | 0.0191 | |
| 945 | V | A | 0.0000 | |
| 946 | D | A | -0.5115 | |
| 947 | F | A | -0.7037 | |
| 948 | L | A | -0.9650 | |
| 949 | N | A | -1.9973 | |
| 950 | K | A | -2.3121 | |
| 951 | P | A | -1.5368 | |
| 952 | A | A | -1.3092 | |
| 953 | S | A | -1.3362 | |
| 954 | E | A | -1.9243 | |
| 955 | M | A | 0.0000 | |
| 956 | S | A | -0.8993 | |
| 957 | V | A | 0.0000 | |
| 958 | T | A | -0.7394 | |
| 959 | L | A | 0.0000 | |
| 960 | I | A | 0.0000 | |
| 961 | T | A | -1.1915 | |
| 962 | A | A | 0.0000 | |
| 963 | P | A | -2.9210 | |
| 964 | K | A | -3.8080 | |
| 965 | G | A | -2.7871 | |
| 966 | S | A | -2.5017 | |
| 967 | D | A | -2.9403 | |
| 968 | E | A | -3.5366 | |
| 969 | K | A | -3.1310 | |
| 970 | T | A | 0.0000 | |
| 971 | F | A | 0.0000 | |
| 972 | T | A | -0.8280 | |
| 973 | A | A | 0.2200 | |
| 974 | G | A | -0.0026 | |
| 975 | T | A | -0.5058 | |
| 976 | Q | A | -0.8567 | |
| 977 | Q | A | -0.7934 | |
| 978 | I | A | 0.3206 | |
| 979 | G | A | 0.5087 | |
| 980 | F | A | 1.5894 | |
| 981 | S | A | 0.4181 | |
| 982 | N | A | -0.6298 | |
| 983 | V | A | 0.0000 | |
| 984 | T | A | -0.4281 | |
| 985 | P | A | 0.0000 | |
| 986 | V | A | 0.6334 | |
| 987 | I | A | 0.3666 | |
| 988 | S | A | -0.4641 | |
| 989 | T | A | -1.7950 | |
| 990 | E | A | -2.7432 | |
| 991 | K | A | -3.8783 | |
| 992 | T | A | -3.2388 | |
| 993 | D | A | -3.4591 | |
| 994 | D | A | -3.5294 | |
| 995 | A | A | -2.9521 | |
| 996 | T | A | 0.0000 | |
| 997 | K | A | -2.1315 | |
| 998 | W | A | 0.0000 | |
| 999 | V | A | 0.0000 | |
| 1000 | L | A | 0.0000 | |
| 1001 | T | A | -0.4357 | |
| 1002 | G | A | 0.0000 | |
| 1003 | Y | A | -0.1644 | |
| 1004 | Q | A | -0.9804 | |
| 1005 | T | A | -0.7392 | |
| 1006 | T | A | -0.3779 | |
| 1 | A | B | 0.0000 | |
| 2 | T | B | 0.0000 | |
| 3 | V | B | 0.0000 | |
| 4 | S | B | 0.0000 | |
| 5 | A | B | -1.4146 | |
| 6 | E | B | -1.7178 | |
| 7 | I | B | 0.0000 | |
| 8 | P | B | -0.8494 | |
| 9 | Y | B | -0.1976 | |
| 10 | Q | B | -0.3632 | |
| 11 | I | B | 0.0101 | |
| 12 | F | B | 0.0000 | |
| 13 | R | B | -0.4346 | |
| 14 | D | B | 0.0000 | |
| 15 | F | B | 0.0000 | |
| 16 | A | B | 0.0000 | |
| 17 | E | B | -0.6062 | |
| 18 | N | B | 0.0000 | |
| 19 | K | B | -0.7131 | |
| 20 | G | B | -0.9780 | |
| 21 | Q | B | -1.1066 | |
| 22 | F | B | 0.0000 | |
| 23 | T | B | -0.8676 | |
| 24 | P | B | -0.8968 | |
| 25 | G | B | -0.7170 | |
| 26 | T | B | -0.8658 | |
| 27 | T | B | -1.5388 | |
| 28 | N | B | -2.2019 | |
| 29 | I | B | 0.0000 | |
| 30 | S | B | -0.3708 | |
| 31 | I | B | 0.0000 | |
| 32 | Y | B | 0.3202 | |
| 33 | D | B | -1.4014 | |
| 34 | K | B | -2.6823 | |
| 35 | Q | B | -2.5187 | |
| 36 | G | B | -1.6343 | |
| 37 | N | B | -1.0122 | |
| 38 | L | B | 0.8852 | |
| 39 | V | B | 1.1843 | |
| 40 | G | B | -0.0263 | |
| 41 | K | B | -1.4785 | |
| 42 | L | B | 0.0000 | |
| 43 | D | B | -2.3898 | |
| 44 | K | B | -2.4142 | |
| 45 | A | B | 0.0000 | |
| 46 | P | B | -1.4118 | |
| 47 | M | B | 0.0000 | |
| 48 | A | B | 0.0000 | |
| 49 | D | B | -1.1797 | |
| 50 | F | B | 0.0000 | |
| 51 | S | B | -0.3372 | |
| 52 | S | B | 0.0000 | |
| 53 | A | B | 0.0000 | |
| 54 | T | B | 0.0000 | |
| 55 | I | B | 0.1184 | |
| 56 | T | B | -0.1870 | |
| 57 | T | B | 0.0000 | |
| 58 | G | B | -0.5986 | |
| 59 | S | B | -0.6208 | |
| 60 | L | B | 0.0000 | |
| 61 | P | B | 0.0000 | |
| 62 | P | B | 0.0000 | |
| 63 | G | B | 0.0000 | |
| 64 | D | B | 0.0000 | |
| 65 | H | B | 0.0000 | |
| 66 | T | B | 0.0000 | |
| 67 | L | B | 0.0000 | |
| 68 | Y | B | -0.4635 | |
| 69 | S | B | -0.2858 | |
| 70 | P | B | -0.0993 | |
| 71 | Q | B | 0.0000 | |
| 72 | Y | B | 0.0000 | |
| 73 | V | B | 0.0000 | |
| 74 | V | B | 0.0000 | |
| 75 | T | B | 0.0000 | |
| 76 | A | B | 0.0000 | |
| 77 | K | B | -1.1185 | |
| 78 | H | B | -0.8277 | |
| 79 | V | B | 0.0000 | |
| 80 | S | B | -0.4791 | |
| 81 | G | B | -0.4095 | |
| 82 | S | B | 0.0000 | |
| 83 | D | B | -1.0217 | |
| 84 | T | B | -0.6079 | |
| 85 | M | B | 0.0000 | |
| 86 | S | B | 0.0000 | |
| 87 | F | B | 0.0000 | |
| 88 | G | B | -0.3500 | |
| 89 | Y | B | 0.0000 | |
| 90 | A | B | -0.9466 | |
| 91 | K | B | -1.9468 | |
| 92 | N | B | -0.9577 | |
| 93 | T | B | -0.6874 | |
| 94 | Y | B | 0.0000 | |
| 95 | T | B | -0.2815 | |
| 96 | A | B | 0.0000 | |
| 97 | V | B | -0.1368 | |
| 98 | G | B | -0.3127 | |
| 99 | T | B | -0.6312 | |
| 100 | N | B | -1.2158 | |
| 101 | N | B | -1.8045 | |
| 102 | N | B | -1.2967 | |
| 103 | S | B | -0.9581 | |
| 104 | G | B | -0.7630 | |
| 105 | L | B | -0.7791 | |
| 106 | D | B | -0.8342 | |
| 107 | I | B | 0.0000 | |
| 108 | K | B | 0.0000 | |
| 109 | T | B | 0.0000 | |
| 110 | R | B | -0.4885 | |
| 111 | R | B | 0.0000 | |
| 112 | L | B | 0.0000 | |
| 113 | S | B | -0.0268 | |
| 114 | K | B | -0.2504 | |
| 115 | L | B | 0.0000 | |
| 116 | V | B | 0.0000 | |
| 117 | T | B | 0.0000 | |
| 118 | E | B | 0.0000 | |
| 119 | V | B | 0.0000 | |
| 120 | A | B | -0.4579 | |
| 121 | P | B | -0.4256 | |
| 122 | A | B | -0.9396 | |
| 123 | E | B | -2.1206 | |
| 124 | V | B | -1.2859 | |
| 125 | S | B | 0.0000 | |
| 126 | D | B | -2.1765 | |
| 127 | I | B | -0.3026 | |
| 128 | G | B | 0.0000 | |
| 129 | A | B | -0.2667 | |
| 130 | V | B | 1.0316 | |
| 131 | S | B | -0.4107 | |
| 132 | G | B | -0.6164 | |
| 133 | A | B | -0.3301 | |
| 134 | Y | B | 0.0000 | |
| 135 | Q | B | -1.6167 | |
| 136 | A | B | -1.0124 | |
| 137 | G | B | -0.9891 | |
| 138 | G | B | -1.2058 | |
| 139 | R | B | -0.6518 | |
| 140 | F | B | 0.0000 | |
| 141 | T | B | -0.7681 | |
| 142 | E | B | 0.0000 | |
| 143 | F | B | 0.0000 | |
| 144 | Y | B | 0.0000 | |
| 145 | R | B | 0.0000 | |
| 146 | L | B | 0.0000 | |
| 147 | G | B | 0.0000 | |
| 148 | G | B | 0.0000 | |
| 149 | G | B | 0.0000 | |
| 150 | M | B | 0.0000 | |
| 151 | Q | B | 0.0000 | |
| 152 | Y | B | 0.0000 | |
| 153 | V | B | -0.6461 | |
| 154 | K | B | -2.1487 | |
| 155 | D | B | -2.7951 | |
| 156 | K | B | -3.3168 | |
| 157 | N | B | -3.0964 | |
| 158 | G | B | -2.9929 | |
| 159 | N | B | -3.0317 | |
| 160 | R | B | -2.7306 | |
| 161 | T | B | -1.2230 | |
| 162 | Q | B | 0.0000 | |
| 163 | V | B | 0.5547 | |
| 164 | Y | B | 0.9508 | |
| 165 | T | B | 0.0059 | |
| 166 | N | B | -1.1218 | |
| 167 | G | B | -1.0627 | |
| 168 | G | B | -0.4403 | |
| 169 | F | B | -0.2269 | |
| 170 | L | B | 0.0000 | |
| 171 | V | B | 0.0000 | |
| 172 | G | B | 0.0000 | |
| 173 | G | B | 0.0000 | |
| 174 | T | B | 0.0000 | |
| 175 | V | B | 0.0000 | |
| 176 | S | B | -0.5649 | |
| 177 | A | B | -0.8107 | |
| 178 | L | B | 0.0000 | |
| 179 | N | B | -1.6176 | |
| 180 | S | B | -1.0383 | |
| 181 | Y | B | -0.8659 | |
| 182 | N | B | -1.7998 | |
| 183 | N | B | -1.7227 | |
| 184 | G | B | 0.0000 | |
| 185 | Q | B | -0.8998 | |
| 186 | M | B | 0.0000 | |
| 187 | I | B | 0.0000 | |
| 188 | T | B | -0.7243 | |
| 189 | A | B | 0.0000 | |
| 190 | Q | B | -1.2813 | |
| 191 | T | B | 0.0000 | |
| 192 | G | B | -0.7793 | |
| 193 | D | B | -1.7727 | |
| 194 | I | B | 0.0000 | |
| 195 | F | B | -0.5716 | |
| 196 | N | B | -0.9130 | |
| 197 | P | B | -0.4117 | |
| 198 | A | B | -0.4688 | |
| 199 | N | B | 0.0000 | |
| 200 | G | B | -0.2283 | |
| 201 | P | B | 0.1870 | |
| 202 | L | B | 0.0000 | |
| 203 | A | B | 0.0000 | |
| 204 | N | B | 0.0000 | |
| 205 | Y | B | -0.2096 | |
| 206 | L | B | 0.0000 | |
| 207 | N | B | -0.0382 | |
| 208 | M | B | 0.1391 | |
| 209 | G | B | 0.0000 | |
| 210 | D | B | 0.0000 | |
| 211 | S | B | -0.1305 | |
| 212 | G | B | 0.0000 | |
| 213 | S | B | 0.0000 | |
| 214 | P | B | 0.0000 | |
| 215 | L | B | 0.0000 | |
| 216 | F | B | 0.0000 | |
| 217 | A | B | 0.0000 | |
| 218 | Y | B | 0.0000 | |
| 219 | D | B | 0.0000 | |
| 220 | S | B | -0.6803 | |
| 221 | L | B | 0.4845 | |
| 222 | Q | B | -0.8468 | |
| 223 | K | B | -1.8499 | |
| 224 | K | B | -1.7840 | |
| 225 | W | B | -1.2013 | |
| 226 | V | B | 0.0000 | |
| 227 | L | B | 0.0000 | |
| 228 | I | B | 0.0000 | |
| 229 | G | B | 0.0000 | |
| 230 | V | B | 0.0000 | |
| 231 | L | B | 0.0000 | |
| 232 | S | B | -0.3424 | |
| 233 | S | B | -0.2843 | |
| 234 | G | B | -0.3791 | |
| 235 | T | B | -0.7673 | |
| 236 | N | B | -1.0557 | |
| 237 | Y | B | 0.0354 | |
| 238 | G | B | 0.0000 | |
| 239 | N | B | 0.0000 | |
| 240 | N | B | -0.4583 | |
| 241 | W | B | 0.0000 | |
| 242 | V | B | 0.0000 | |
| 243 | V | B | 0.0000 | |
| 244 | T | B | 0.0000 | |
| 245 | T | B | -1.3662 | |
| 246 | Q | B | -2.4425 | |
| 247 | D | B | -2.6933 | |
| 248 | F | B | 0.0000 | |
| 249 | L | B | 0.0000 | |
| 250 | G | B | -1.9112 | |
| 251 | Q | B | -2.2790 | |
| 252 | Q | B | 0.0000 | |
| 253 | P | B | -1.3442 | |
| 254 | Q | B | -2.1252 | |
| 255 | N | B | -2.2691 | |
| 256 | D | B | 0.0000 | |
| 257 | F | B | -1.0749 | |
| 258 | D | B | -1.6628 | |
| 259 | K | B | -2.0447 | |
| 260 | T | B | -0.8610 | |
| 261 | I | B | 0.0000 | |
| 262 | A | B | -0.3117 | |
| 263 | Y | B | -0.8867 | |
| 264 | T | B | -1.1596 | |
| 265 | S | B | -1.5767 | |
| 266 | G | B | -1.4631 | |
| 267 | E | B | -2.3115 | |
| 268 | G | B | -1.4596 | |
| 269 | V | B | -0.5541 | |
| 270 | L | B | 0.0000 | |
| 271 | Q | B | -0.6540 | |
| 272 | W | B | 0.0000 | |
| 273 | K | B | -2.0212 | |
| 274 | Y | B | 0.0000 | |
| 275 | D | B | -2.1775 | |
| 276 | A | B | -1.6509 | |
| 277 | A | B | -1.2909 | |
| 278 | N | B | -2.0686 | |
| 279 | G | B | 0.0000 | |
| 280 | T | B | -1.6188 | |
| 281 | G | B | -1.5650 | |
| 282 | T | B | -1.2675 | |
| 283 | L | B | 0.0000 | |
| 284 | T | B | -0.8553 | |
| 285 | Q | B | 0.0000 | |
| 286 | G | B | -1.6877 | |
| 287 | N | B | -1.7782 | |
| 288 | T | B | -0.8072 | |
| 289 | T | B | -0.7374 | |
| 290 | W | B | -0.9259 | |
| 291 | D | B | -1.6787 | |
| 292 | M | B | 0.0000 | |
| 293 | H | B | -1.3605 | |
| 294 | G | B | 0.0000 | |
| 295 | K | B | -2.0647 | |
| 296 | K | B | -2.6198 | |
| 297 | G | B | -2.2517 | |
| 298 | N | B | -2.5028 | |
| 299 | D | B | -2.4870 | |
| 300 | L | B | -1.2526 | |
| 301 | N | B | -1.0071 | |
| 302 | A | B | -1.2204 | |
| 303 | G | B | 0.0000 | |
| 304 | K | B | -0.8077 | |
| 305 | N | B | 0.0000 | |
| 306 | L | B | 0.0000 | |
| 307 | L | B | -0.0395 | |
| 308 | F | B | 0.0000 | |
| 309 | T | B | -0.5351 | |
| 310 | G | B | -1.3245 | |
| 311 | N | B | -2.4591 | |
| 312 | N | B | -2.6320 | |
| 313 | G | B | 0.0000 | |
| 314 | E | B | -1.6591 | |
| 315 | V | B | 0.0000 | |
| 316 | V | B | -0.2043 | |
| 317 | L | B | 0.0000 | |
| 318 | Q | B | -0.8768 | |
| 319 | N | B | -1.4429 | |
| 320 | S | B | -0.9750 | |
| 321 | V | B | 0.0000 | |
| 322 | N | B | -0.5570 | |
| 323 | Q | B | 0.0000 | |
| 324 | G | B | 0.0000 | |
| 325 | A | B | 0.0000 | |
| 326 | G | B | 0.0000 | |
| 327 | Y | B | 0.0000 | |
| 328 | L | B | 0.0000 | |
| 329 | Q | B | -0.1916 | |
| 330 | F | B | 0.0000 | |
| 331 | A | B | -0.8220 | |
| 332 | G | B | 0.0000 | |
| 333 | D | B | -2.0285 | |
| 334 | Y | B | 0.0000 | |
| 335 | R | B | -1.8134 | |
| 336 | V | B | 0.0000 | |
| 337 | S | B | -0.4615 | |
| 338 | A | B | -0.1061 | |
| 339 | L | B | 0.3576 | |
| 340 | N | B | -1.0098 | |
| 341 | G | B | -0.9905 | |
| 342 | Q | B | -0.6745 | |
| 343 | T | B | -0.4277 | |
| 344 | W | B | 0.0000 | |
| 345 | M | B | -0.0093 | |
| 346 | G | B | 0.0000 | |
| 347 | G | B | 0.0000 | |
| 348 | G | B | 0.0000 | |
| 349 | I | B | 0.0000 | |
| 350 | I | B | 0.0000 | |
| 351 | T | B | 0.0000 | |
| 352 | D | B | -2.1291 | |
| 353 | K | B | -2.9220 | |
| 354 | G | B | -1.9566 | |
| 355 | T | B | 0.0000 | |
| 356 | H | B | -1.5780 | |
| 357 | V | B | 0.0000 | |
| 358 | L | B | -0.6752 | |
| 359 | W | B | 0.0000 | |
| 360 | Q | B | -0.7785 | |
| 361 | V | B | 0.0000 | |
| 362 | N | B | -0.2393 | |
| 363 | G | B | -0.0421 | |
| 364 | V | B | 0.2018 | |
| 365 | A | B | -0.0731 | |
| 366 | G | B | -0.5372 | |
| 367 | D | B | -0.5206 | |
| 368 | N | B | -0.7945 | |
| 369 | L | B | -0.2794 | |
| 370 | H | B | 0.0000 | |
| 371 | K | B | 0.0000 | |
| 372 | T | B | 0.0000 | |
| 373 | G | B | -1.7327 | |
| 374 | E | B | -2.9558 | |
| 375 | G | B | 0.0000 | |
| 376 | T | B | -0.9935 | |
| 377 | L | B | 0.0000 | |
| 378 | T | B | -0.1547 | |
| 379 | V | B | 0.0000 | |
| 380 | N | B | -0.8762 | |
| 381 | G | B | 0.0000 | |
| 382 | T | B | -1.1589 | |
| 383 | G | B | 0.0000 | |
| 384 | V | B | 0.2045 | |
| 385 | N | B | 0.0000 | |
| 386 | A | B | 0.1994 | |
| 387 | G | B | 0.0000 | |
| 388 | G | B | 0.0000 | |
| 389 | L | B | 0.0000 | |
| 390 | K | B | -0.5885 | |
| 391 | V | B | 0.0000 | |
| 392 | G | B | 0.0000 | |
| 393 | D | B | -1.1547 | |
| 394 | G | B | -1.5941 | |
| 395 | T | B | -0.5291 | |
| 396 | V | B | 0.0000 | |
| 397 | I | B | 0.3945 | |
| 398 | L | B | 0.0000 | |
| 399 | N | B | -1.1857 | |
| 400 | Q | B | 0.0000 | |
| 401 | Q | B | -1.9530 | |
| 402 | A | B | -2.0198 | |
| 403 | D | B | -2.4249 | |
| 404 | A | B | -1.8608 | |
| 405 | D | B | -2.7788 | |
| 406 | G | B | -2.4949 | |
| 407 | K | B | -2.7199 | |
| 408 | V | B | -1.5056 | |
| 409 | Q | B | -0.8775 | |
| 410 | A | B | 0.0000 | |
| 411 | F | B | 0.0000 | |
| 412 | S | B | -0.3788 | |
| 413 | S | B | -0.7000 | |
| 414 | V | B | 0.0000 | |
| 415 | G | B | -0.4038 | |
| 416 | I | B | 0.0000 | |
| 417 | A | B | 0.0000 | |
| 418 | S | B | -0.6881 | |
| 419 | G | B | -1.0429 | |
| 420 | R | B | -1.4070 | |
| 421 | P | B | 0.0000 | |
| 422 | T | B | 0.0000 | |
| 423 | V | B | 0.0000 | |
| 424 | V | B | -0.0683 | |
| 425 | L | B | 0.0000 | |
| 426 | S | B | -0.8221 | |
| 427 | D | B | -1.4600 | |
| 428 | S | B | -1.6201 | |
| 429 | Q | B | -2.0941 | |
| 430 | Q | B | 0.0000 | |
| 431 | V | B | 0.0000 | |
| 432 | N | B | -1.6615 | |
| 433 | P | B | -1.1838 | |
| 434 | D | B | -1.1469 | |
| 435 | N | B | -1.0887 | |
| 436 | I | B | 0.0000 | |
| 437 | S | B | -0.5250 | |
| 438 | W | B | 0.0000 | |
| 439 | G | B | -0.6047 | |
| 440 | Y | B | -0.3336 | |
| 441 | R | B | -0.8189 | |
| 442 | G | B | 0.0000 | |
| 443 | G | B | 0.0000 | |
| 444 | R | B | -0.7364 | |
| 445 | L | B | 0.0000 | |
| 446 | E | B | 0.0000 | |
| 447 | L | B | 0.0000 | |
| 448 | N | B | -2.2728 | |
| 449 | G | B | 0.0000 | |
| 450 | N | B | -1.7855 | |
| 451 | N | B | -1.6702 | |
| 452 | L | B | 0.0000 | |
| 453 | T | B | -0.9369 | |
| 454 | F | B | 0.0000 | |
| 455 | T | B | -1.1942 | |
| 456 | R | B | -1.5070 | |
| 457 | L | B | -0.6504 | |
| 458 | Q | B | -0.8796 | |
| 459 | A | B | -0.4127 | |
| 460 | A | B | -0.4362 | |
| 461 | D | B | -0.2289 | |
| 462 | Y | B | 0.2012 | |
| 463 | G | B | -0.3813 | |
| 464 | A | B | 0.0000 | |
| 465 | I | B | 0.0063 | |
| 466 | I | B | 0.0000 | |
| 467 | T | B | 0.0000 | |
| 468 | N | B | 0.0000 | |
| 469 | N | B | -2.4208 | |
| 470 | S | B | -2.6800 | |
| 471 | E | B | -3.4049 | |
| 472 | K | B | -3.4892 | |
| 473 | K | B | -3.1682 | |
| 474 | S | B | 0.0000 | |
| 475 | T | B | -1.2122 | |
| 476 | V | B | 0.0000 | |
| 477 | T | B | -0.7674 | |
| 478 | L | B | 0.0000 | |
| 479 | D | B | -1.5560 | |
| 480 | L | B | 0.0000 | |
| 481 | Q | B | -1.2457 | |
| 482 | T | B | -0.9262 | |
| 483 | L | B | -1.0573 | |
| 484 | K | B | -1.2490 | |
| 485 | A | B | -1.5581 | |
| 486 | S | B | -1.4190 | |
| 487 | D | B | -2.2336 | |
| 488 | I | B | -1.4785 | |
| 489 | N | B | -1.5964 | |
| 490 | V | B | -0.6524 | |
| 491 | P | B | -0.3045 | |
| 492 | V | B | 0.2070 | |
| 493 | N | B | -0.2166 | |
| 494 | T | B | 0.1466 | |
| 495 | V | B | 0.0000 | |
| 496 | S | B | 1.2614 | |
| 497 | I | B | 3.3896 | |
| 498 | F | B | 3.2208 | |
| 499 | G | B | 0.8183 | |
| 500 | G | B | -0.5605 | |
| 501 | R | B | -2.2427 | |
| 502 | G | B | -1.5858 | |
| 503 | A | B | -1.0945 | |
| 504 | P | B | -1.3401 | |
| 505 | G | B | -1.3439 | |
| 506 | D | B | -1.2660 | |
| 507 | L | B | 0.0000 | |
| 508 | Y | B | 0.0000 | |
| 509 | Y | B | -0.6701 | |
| 510 | D | B | 0.0000 | |
| 511 | S | B | -0.9362 | |
| 512 | S | B | -0.8197 | |
| 513 | T | B | -1.2979 | |
| 514 | K | B | -2.6142 | |
| 515 | Q | B | -2.5663 | |
| 516 | Y | B | 0.0000 | |
| 517 | F | B | 0.0000 | |
| 518 | I | B | 0.0000 | |
| 519 | L | B | 0.0000 | |
| 520 | K | B | -1.8603 | |
| 521 | A | B | -1.1493 | |
| 522 | S | B | -1.1747 | |
| 523 | S | B | -1.4152 | |
| 524 | Y | B | 0.0000 | |
| 525 | S | B | 0.6019 | |
| 526 | P | B | 2.2168 | |
| 527 | F | B | 3.1430 | |
| 528 | F | B | 1.9456 | |
| 529 | S | B | 0.2674 | |
| 530 | D | B | 0.0000 | |
| 531 | L | B | -0.7596 | |
| 532 | N | B | -2.0084 | |
| 533 | N | B | -2.0535 | |
| 534 | S | B | -1.7360 | |
| 535 | S | B | -1.1851 | |
| 536 | V | B | -1.3152 | |
| 537 | W | B | 0.0000 | |
| 538 | Q | B | -1.9705 | |
| 539 | N | B | -2.0314 | |
| 540 | V | B | -2.0487 | |
| 541 | G | B | -2.9298 | |
| 542 | K | B | -4.1106 | |
| 543 | D | B | -4.3443 | |
| 544 | R | B | -3.8817 | |
| 545 | N | B | -3.7317 | |
| 546 | K | B | -3.9926 | |
| 547 | A | B | 0.0000 | |
| 548 | I | B | -2.2945 | |
| 549 | D | B | -3.1137 | |
| 550 | T | B | -2.1002 | |
| 551 | V | B | 0.0000 | |
| 552 | K | B | -2.4426 | |
| 553 | Q | B | -2.7378 | |
| 554 | Q | B | -2.8598 | |
| 555 | K | B | -2.1705 | |
| 556 | I | B | 0.0000 | |
| 557 | E | B | -3.2852 | |
| 558 | A | B | -1.9289 | |
| 559 | S | B | -1.5406 | |
| 560 | S | B | 0.0000 | |
| 561 | Q | B | -1.7172 | |
| 562 | P | B | -1.1277 | |
| 563 | Y | B | 0.0000 | |
| 564 | M | B | 0.0000 | |
| 565 | Y | B | 0.0000 | |
| 566 | H | B | 0.0000 | |
| 567 | G | B | 0.0000 | |
| 568 | Q | B | -0.1077 | |
| 569 | L | B | 0.0000 | |
| 570 | N | B | -0.7098 | |
| 571 | G | B | -1.5249 | |
| 572 | N | B | -2.4313 | |
| 573 | M | B | 0.0000 | |
| 574 | D | B | -1.3519 | |
| 575 | V | B | 0.0000 | |
| 576 | N | B | -0.9437 | |
| 577 | I | B | 0.0000 | |
| 578 | P | B | -1.3890 | |
| 579 | Q | B | -1.9431 | |
| 580 | L | B | 0.0000 | |
| 581 | S | B | -1.8396 | |
| 582 | G | B | -2.6317 | |
| 583 | K | B | -2.6287 | |
| 584 | D | B | 0.0000 | |
| 585 | V | B | -0.7696 | |
| 586 | L | B | 0.0000 | |
| 587 | A | B | 0.0000 | |
| 588 | L | B | 0.0000 | |
| 589 | D | B | 0.0000 | |
| 590 | G | B | 0.0000 | |
| 591 | S | B | 0.0000 | |
| 592 | V | B | 0.0000 | |
| 593 | N | B | -1.2342 | |
| 594 | L | B | 0.0000 | |
| 595 | P | B | -2.0741 | |
| 596 | E | B | -2.9983 | |
| 597 | G | B | 0.0000 | |
| 598 | S | B | -1.7990 | |
| 599 | I | B | 0.0000 | |
| 600 | T | B | -0.9236 | |
| 601 | K | B | 0.0000 | |
| 602 | K | B | -1.5405 | |
| 603 | S | B | -1.1025 | |
| 604 | G | B | -0.9504 | |
| 605 | T | B | -0.5190 | |
| 606 | L | B | 0.0000 | |
| 607 | I | B | 0.0000 | |
| 608 | F | B | 0.0000 | |
| 609 | Q | B | 0.0000 | |
| 610 | G | B | 0.0000 | |
| 611 | H | B | -0.5856 | |
| 612 | P | B | 0.0000 | |
| 613 | V | B | -0.8117 | |
| 614 | I | B | -0.3961 | |
| 615 | H | B | -0.5653 | |
| 616 | A | B | 0.0000 | |
| 617 | G | B | -0.6301 | |
| 618 | T | B | -0.6297 | |
| 619 | T | B | -0.7627 | |
| 620 | T | B | 0.0000 | |
| 621 | S | B | -0.7331 | |
| 622 | S | B | -0.9067 | |
| 623 | S | B | -0.7009 | |
| 624 | Q | B | -0.9647 | |
| 625 | S | B | -1.2752 | |
| 626 | D | B | -2.2109 | |
| 627 | W | B | 0.0000 | |
| 628 | E | B | -1.6701 | |
| 629 | T | B | -1.3208 | |
| 630 | R | B | 0.0000 | |
| 631 | Q | B | -1.3191 | |
| 632 | F | B | 0.0000 | |
| 633 | T | B | -1.5164 | |
| 634 | L | B | 0.0000 | |
| 635 | E | B | -3.2599 | |
| 636 | K | B | -2.8150 | |
| 637 | L | B | 0.0000 | |
| 638 | K | B | -1.3381 | |
| 639 | L | B | 0.0000 | |
| 640 | D | B | -1.1555 | |
| 641 | A | B | -1.1862 | |
| 642 | A | B | 0.0000 | |
| 643 | T | B | -0.1842 | |
| 644 | F | B | 0.0000 | |
| 645 | H | B | 0.0000 | |
| 646 | L | B | 0.0000 | |
| 647 | S | B | 0.0000 | |
| 648 | R | B | 0.0000 | |
| 649 | N | B | 0.0000 | |
| 650 | G | B | 0.0000 | |
| 651 | K | B | -1.4629 | |
| 652 | M | B | 0.0000 | |
| 653 | Q | B | -1.5784 | |
| 654 | G | B | -1.6884 | |
| 655 | D | B | -1.9740 | |
| 656 | I | B | 0.0000 | |
| 657 | N | B | -1.2934 | |
| 658 | A | B | 0.0000 | |
| 659 | T | B | -1.9910 | |
| 660 | N | B | -2.3622 | |
| 661 | G | B | -2.2424 | |
| 662 | S | B | 0.0000 | |
| 663 | T | B | -0.4648 | |
| 664 | V | B | 0.0000 | |
| 665 | I | B | 0.0482 | |
| 666 | L | B | 0.0000 | |
| 667 | G | B | -0.3728 | |
| 668 | S | B | 0.0000 | |
| 669 | S | B | -0.5935 | |
| 670 | R | B | -1.3473 | |
| 671 | V | B | 0.0000 | |
| 672 | F | B | 0.0000 | |
| 673 | T | B | 0.0000 | |
| 674 | D | B | 0.0000 | |
| 675 | R | B | -1.8783 | |
| 676 | S | B | -1.2056 | |
| 677 | D | B | 0.0000 | |
| 678 | G | B | -0.6726 | |
| 679 | T | B | -1.0017 | |
| 680 | G | B | -1.1202 | |
| 681 | N | B | -1.7031 | |
| 682 | A | B | -0.5976 | |
| 683 | V | B | -0.2210 | |
| 684 | S | B | -0.6499 | |
| 685 | S | B | -0.7337 | |
| 686 | V | B | -0.9198 | |
| 687 | E | B | -1.8572 | |
| 688 | G | B | -1.2624 | |
| 689 | S | B | -1.0467 | |
| 690 | A | B | 0.0000 | |
| 691 | T | B | -0.4592 | |
| 692 | A | B | 0.0000 | |
| 693 | T | B | 0.0587 | |
| 694 | T | B | 0.4502 | |
| 695 | V | B | 1.1253 | |
| 696 | G | B | 0.0535 | |
| 697 | D | B | -0.7817 | |
| 698 | Q | B | -0.4447 | |
| 699 | S | B | 0.0000 | |
| 700 | D | B | -1.1213 | |
| 701 | Y | B | 0.0000 | |
| 702 | S | B | -0.9294 | |
| 703 | G | B | -1.4179 | |
| 704 | N | B | -1.1764 | |
| 705 | V | B | 0.0000 | |
| 706 | T | B | -0.8736 | |
| 707 | L | B | 0.0000 | |
| 708 | E | B | -3.1207 | |
| 709 | N | B | -3.1329 | |
| 710 | K | B | -3.2730 | |
| 711 | S | B | 0.0000 | |
| 712 | S | B | -1.0484 | |
| 713 | L | B | 0.0000 | |
| 714 | Q | B | -0.1465 | |
| 715 | I | B | 0.0000 | |
| 716 | M | B | -0.2611 | |
| 717 | E | B | -0.6044 | |
| 718 | R | B | -1.0205 | |
| 719 | F | B | 0.0000 | |
| 720 | T | B | -0.9600 | |
| 721 | G | B | 0.0000 | |
| 722 | G | B | 0.0000 | |
| 723 | I | B | 0.0000 | |
| 724 | E | B | -0.5243 | |
| 725 | A | B | 0.0000 | |
| 726 | Y | B | -1.5576 | |
| 727 | D | B | -2.9983 | |
| 728 | S | B | 0.0000 | |
| 729 | T | B | -1.2112 | |
| 730 | V | B | 0.0000 | |
| 731 | S | B | -0.2230 | |
| 732 | V | B | 0.0000 | |
| 733 | T | B | -1.0478 | |
| 734 | S | B | 0.0000 | |
| 735 | Q | B | -2.0404 | |
| 736 | N | B | -1.4236 | |
| 737 | A | B | 0.0000 | |
| 738 | V | B | -0.9167 | |
| 739 | F | B | 0.0000 | |
| 740 | D | B | -1.7576 | |
| 741 | R | B | -1.8906 | |
| 742 | V | B | 0.0400 | |
| 743 | G | B | 0.0000 | |
| 744 | S | B | 0.3421 | |
| 745 | F | B | 0.0000 | |
| 746 | V | B | -0.3142 | |
| 747 | N | B | -1.5080 | |
| 748 | S | B | 0.0000 | |
| 749 | S | B | -0.7320 | |
| 750 | L | B | 0.0000 | |
| 751 | T | B | -0.7333 | |
| 752 | L | B | 0.0000 | |
| 753 | G | B | -1.8352 | |
| 754 | K | B | -2.9729 | |
| 755 | G | B | -2.3891 | |
| 756 | A | B | 0.0000 | |
| 757 | K | B | -2.2140 | |
| 758 | L | B | 0.0000 | |
| 759 | T | B | -0.6238 | |
| 760 | A | B | 0.0000 | |
| 761 | Q | B | -0.4504 | |
| 762 | S | B | 0.0403 | |
| 763 | G | B | 0.0000 | |
| 764 | I | B | 0.0000 | |
| 765 | F | B | 1.2472 | |
| 766 | S | B | 0.0000 | |
| 767 | T | B | -0.5517 | |
| 768 | G | B | -0.9683 | |
| 769 | A | B | -1.1768 | |
| 770 | V | B | 0.0000 | |
| 771 | D | B | -1.2313 | |
| 772 | V | B | 0.0000 | |
| 773 | K | B | -2.7492 | |
| 774 | E | B | -3.4849 | |
| 775 | N | B | -3.1390 | |
| 776 | A | B | 0.0000 | |
| 777 | S | B | -1.5539 | |
| 778 | L | B | 0.0000 | |
| 779 | T | B | -0.4191 | |
| 780 | L | B | 0.0000 | |
| 781 | T | B | 0.0000 | |
| 782 | G | B | 0.0000 | |
| 783 | M | B | 0.1795 | |
| 784 | P | B | -0.5424 | |
| 785 | S | B | -1.2019 | |
| 786 | A | B | -1.0027 | |
| 787 | Q | B | -2.0042 | |
| 788 | K | B | -2.5969 | |
| 789 | Q | B | -2.2428 | |
| 790 | G | B | -1.8009 | |
| 791 | Y | B | -1.6159 | |
| 792 | Y | B | -0.6930 | |
| 793 | S | B | -0.1382 | |
| 794 | P | B | 0.7010 | |
| 795 | V | B | 1.5634 | |
| 796 | I | B | 2.2233 | |
| 797 | S | B | 0.0000 | |
| 798 | T | B | 0.1342 | |
| 799 | T | B | 0.0000 | |
| 800 | E | B | -2.0047 | |
| 801 | G | B | 0.0000 | |
| 802 | I | B | 0.0000 | |
| 803 | N | B | -1.3357 | |
| 804 | L | B | 0.0000 | |
| 805 | E | B | -2.8289 | |
| 806 | D | B | -3.1171 | |
| 807 | N | B | -2.8269 | |
| 808 | A | B | 0.0000 | |
| 809 | S | B | -1.2332 | |
| 810 | F | B | 0.0000 | |
| 811 | S | B | -0.4003 | |
| 812 | V | B | 0.0000 | |
| 813 | K | B | -0.8215 | |
| 814 | N | B | 0.0000 | |
| 815 | M | B | 0.0000 | |
| 816 | G | B | 0.0000 | |
| 817 | Y | B | 0.0000 | |
| 818 | L | B | 0.0000 | |
| 819 | S | B | -0.5765 | |
| 820 | S | B | 0.0000 | |
| 821 | D | B | -2.0568 | |
| 822 | I | B | 0.0000 | |
| 823 | H | B | -1.1846 | |
| 824 | A | B | 0.0000 | |
| 825 | G | B | -1.2542 | |
| 826 | T | B | -0.9596 | |
| 827 | T | B | -1.6035 | |
| 828 | A | B | -1.4856 | |
| 829 | A | B | 0.0000 | |
| 830 | T | B | -0.8188 | |
| 831 | I | B | 0.0000 | |
| 832 | N | B | -0.6905 | |
| 833 | L | B | 0.0000 | |
| 834 | G | B | -0.9657 | |
| 835 | D | B | -1.4065 | |
| 836 | S | B | -1.6810 | |
| 837 | D | B | -2.3516 | |
| 838 | A | B | -1.7828 | |
| 839 | D | B | -2.5671 | |
| 840 | A | B | -1.9687 | |
| 841 | G | B | -1.7337 | |
| 842 | K | B | -2.4037 | |
| 843 | T | B | 0.0000 | |
| 844 | D | B | -2.0300 | |
| 845 | S | B | -0.8479 | |
| 846 | P | B | -0.2803 | |
| 847 | L | B | 0.2777 | |
| 848 | F | B | 0.0843 | |
| 849 | S | B | -0.0928 | |
| 850 | S | B | -0.0766 | |
| 851 | L | B | 0.4323 | |
| 852 | M | B | 0.0000 | |
| 853 | K | B | -0.4894 | |
| 854 | G | B | -0.3796 | |
| 855 | Y | B | -0.4775 | |
| 856 | N | B | 0.0000 | |
| 857 | A | B | 0.0000 | |
| 858 | V | B | 0.0000 | |
| 859 | L | B | 0.0000 | |
| 860 | R | B | -1.4078 | |
| 861 | G | B | 0.0000 | |
| 862 | S | B | -1.5785 | |
| 863 | I | B | 0.0000 | |
| 864 | T | B | -1.3566 | |
| 865 | G | B | 0.0000 | |
| 866 | A | B | -1.1958 | |
| 867 | Q | B | -1.6473 | |
| 868 | S | B | 0.0000 | |
| 869 | T | B | -0.8099 | |
| 870 | V | B | 0.0000 | |
| 871 | N | B | -1.0900 | |
| 872 | M | B | 0.0000 | |
| 873 | I | B | -1.4538 | |
| 874 | N | B | -1.1762 | |
| 875 | A | B | 0.0000 | |
| 876 | L | B | 0.0000 | |
| 877 | W | B | 0.0000 | |
| 878 | Y | B | 0.0000 | |
| 879 | S | B | 0.0000 | |
| 880 | D | B | -2.7402 | |
| 881 | G | B | -2.3806 | |
| 882 | K | B | -2.5262 | |
| 883 | S | B | 0.0000 | |
| 884 | E | B | -1.8331 | |
| 885 | A | B | 0.0000 | |
| 886 | G | B | -1.4733 | |
| 887 | A | B | -1.7620 | |
| 888 | L | B | 0.0000 | |
| 889 | K | B | -2.0823 | |
| 890 | A | B | 0.0000 | |
| 891 | K | B | -2.7365 | |
| 892 | G | B | -1.9717 | |
| 893 | S | B | 0.0000 | |
| 894 | R | B | -0.8251 | |
| 895 | I | B | 0.0000 | |
| 896 | E | B | -0.9163 | |
| 897 | L | B | 0.0000 | |
| 898 | G | B | -2.2556 | |
| 899 | D | B | -3.2180 | |
| 900 | G | B | -2.2995 | |
| 901 | K | B | -2.8457 | |
| 902 | H | B | -2.5859 | |
| 903 | F | B | -1.9732 | |
| 904 | A | B | 0.0000 | |
| 905 | T | B | -1.3079 | |
| 906 | L | B | 0.0000 | |
| 907 | Q | B | -1.8763 | |
| 908 | V | B | 0.0000 | |
| 909 | K | B | -2.7391 | |
| 910 | E | B | -2.8555 | |
| 911 | L | B | 0.0000 | |
| 912 | S | B | -1.7450 | |
| 913 | A | B | 0.0000 | |
| 914 | D | B | -3.3739 | |
| 915 | N | B | -3.0482 | |
| 916 | T | B | 0.0000 | |
| 917 | T | B | -1.0127 | |
| 918 | F | B | 0.0000 | |
| 919 | L | B | 0.0000 | |
| 920 | M | B | 0.0000 | |
| 921 | H | B | -1.2879 | |
| 922 | T | B | 0.0000 | |
| 923 | N | B | -1.8028 | |
| 924 | N | B | -1.6441 | |
| 925 | S | B | -1.3697 | |
| 926 | R | B | -2.4589 | |
| 927 | A | B | -1.5185 | |
| 928 | D | B | 0.0000 | |
| 929 | Q | B | -0.9545 | |
| 930 | L | B | 0.0000 | |
| 931 | N | B | -1.2231 | |
| 932 | V | B | 0.0000 | |
| 933 | T | B | -2.2600 | |
| 934 | D | B | -3.4209 | |
| 935 | K | B | -3.3830 | |
| 936 | L | B | 0.0000 | |
| 937 | S | B | -1.3854 | |
| 938 | G | B | -2.0367 | |
| 939 | S | B | -2.3918 | |
| 940 | N | B | -2.5837 | |
| 941 | N | B | 0.0000 | |
| 942 | S | B | -1.0087 | |
| 943 | V | B | 0.0000 | |
| 944 | L | B | -0.0131 | |
| 945 | V | B | 0.0000 | |
| 946 | D | B | -0.5919 | |
| 947 | F | B | -0.6220 | |
| 948 | L | B | -0.7051 | |
| 949 | N | B | -1.6924 | |
| 950 | K | B | -2.1586 | |
| 951 | P | B | -1.4287 | |
| 952 | A | B | -1.2430 | |
| 953 | S | B | -1.3104 | |
| 954 | E | B | -1.8726 | |
| 955 | M | B | -1.1773 | |
| 956 | S | B | -0.8408 | |
| 957 | V | B | 0.0000 | |
| 958 | T | B | -0.6503 | |
| 959 | L | B | 0.0000 | |
| 960 | I | B | 0.0000 | |
| 961 | T | B | -0.9528 | |
| 962 | A | B | 0.0000 | |
| 963 | P | B | -3.0797 | |
| 964 | K | B | -3.8286 | |
| 965 | G | B | -2.5793 | |
| 966 | S | B | 0.0000 | |
| 967 | D | B | -2.9813 | |
| 968 | E | B | -3.3232 | |
| 969 | K | B | -3.0387 | |
| 970 | T | B | 0.0000 | |
| 971 | F | B | 0.0000 | |
| 972 | T | B | -0.8348 | |
| 973 | A | B | 0.2102 | |
| 974 | G | B | -0.0012 | |
| 975 | T | B | -0.5053 | |
| 976 | Q | B | -0.8619 | |
| 977 | Q | B | -0.8155 | |
| 978 | I | B | 0.2413 | |
| 979 | G | B | 0.4743 | |
| 980 | F | B | 1.5693 | |
| 981 | S | B | 0.4002 | |
| 982 | N | B | -0.6500 | |
| 983 | V | B | 0.0000 | |
| 984 | T | B | -0.4466 | |
| 985 | P | B | 0.0000 | |
| 986 | V | B | 0.5651 | |
| 987 | I | B | 0.3570 | |
| 988 | S | B | -0.4051 | |
| 989 | T | B | -1.7639 | |
| 990 | E | B | -2.4351 | |
| 991 | K | B | -3.7948 | |
| 992 | T | B | -3.1125 | |
| 993 | D | B | -3.4680 | |
| 994 | D | B | -3.5363 | |
| 995 | A | B | -2.8190 | |
| 996 | T | B | 0.0000 | |
| 997 | K | B | -1.8239 | |
| 998 | W | B | 0.0000 | |
| 999 | V | B | 0.0000 | |
| 1000 | L | B | 0.0000 | |
| 1001 | T | B | -0.4083 | |
| 1002 | G | B | 0.0000 | |
| 1003 | Y | B | -0.1523 | |
| 1004 | Q | B | -0.9827 | |
| 1005 | T | B | -0.7655 | |
| 1006 | T | B | -0.3760 |
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 | -0.5764 | 7.3553 | View | CSV | PDB |
| 4.5 | -0.6187 | 7.3436 | View | CSV | PDB |
| 5.0 | -0.6688 | 7.3306 | View | CSV | PDB |
| 5.5 | -0.7178 | 7.3171 | View | CSV | PDB |
| 6.0 | -0.7555 | 7.3035 | View | CSV | PDB |
| 6.5 | -0.7739 | 7.2898 | View | CSV | PDB |
| 7.0 | -0.7734 | 7.2762 | View | CSV | PDB |
| 7.5 | -0.7606 | 7.2628 | View | CSV | PDB |
| 8.0 | -0.7407 | 7.2501 | View | CSV | PDB |
| 8.5 | -0.7144 | 7.2393 | View | CSV | PDB |
| 9.0 | -0.6803 | 7.2317 | 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