| Chain sequence(s) |
A: MALVQTHGSRGLHPEASDPGRQPSRRRSRQSSPGAVPEPARARRRRAPATTASGSRAAPTARRASSPPLLTMEAKPLPPAKKKRGTVVTPQGHGTLQAIDVATNGAVEIKYHLDLPRALEKLLQVNRAPPLPTDLTPQRLRTLDSSGLRALVLALRPVRAEVWTCLPRGLVSMTTIEAEEGQADHHDVVQHQMQAPRLHFPLKFLVKGTQVQLVQHVHPVQRCEHCGRLYKHKHECSARRRHFYFHHINSHSSNWWQEIQFFPIGSHPRTERLFLTYDVETYTWMGSFGKQLVPFMLVMKLSGDDRLVELALDLALQLKWDRWHGDPRTFYCVTPEKMAVGQQFRQYRDRLQTALAVDLWTSFLRANPHLADWALEQHGLSDPDELTYEELKKLPHVKGRPRFVELYIVGHNINGFDEIVLAAQVINNRAEVPQPFRITRNFMPRAGKILFNDVTFALPNPAYKKRTDFQLWEQGGCDDIDFKHQFLKVMVRDTFALTHTSLRKAAQAYALPVEKGCCAYKAVNQFYMLGSYRADQDGFPLEEYWKDREEFLLNRELWKQKGQLKYDIIQETLDYCALDVLVTAELVAKLQDSYAHFIRDSVGLPHAHFNIFQRPTISSNSHAIFRQIVYRAEKPSRANLGAGLLAPSHELYDYVRASIRGGRCYPTYIGILDEPLYVYDICGMYASALTHPMPWGTPLSPYERALAVREWQASLDDLGTCISYFDPDLLPGIFTIDADPPDELMLDPLPPFCSRKGGRLCWTNEPLRGEVATSVDLITLHNRGWQVRIVPDELTTVFPEWKCVAREYVQLNIAAKERADKEKNQTMRSIAKLLSNALYGSFATKLDNKKIVFSDQMDEGLLKGISAGTVNIKSSSFLETDNLSAEVMPAFEREYLPQQLALLDSDPEDSEDEQRPAPFYTPPAGTPGHVAYTYKPITFLDVDEGDMCLHTLEKVDPLVDNDRYPSHVASFVLAWTRAFVSEWSGFLYDEDRGVPLEDRPIKSVYGDTDSLFVTQRGHELMETRGKKRIKKNGGKLVFDPNQPDLTWLVECETVCAHCGADAYAPESVFLAPKLYALKSLLCPACGQTSKGKLRAKGHAAEALNYELMVNCYLADAQGADRERFSTSRMSLKRTLASAQPGAHPFTVTETTLTRTLRPWKDRTLAALDAHRLAPYSRSRPNPRNEEVCWIEMP
input PDB |
| Selected Chain(s) | A |
| 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] (00:00:12)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:12)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:12)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:12)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:24)
[INFO] FoldX: Starting FoldX energy minimization (00:00:24)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:27:26)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2021f4ce81800e8/tmp/folded.pdb (00:27:26)
[INFO] Main: Simulation completed successfully. (00:40:37)
|
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 | M | A | 1.6990 | |
| 2 | A | A | 1.6635 | |
| 3 | L | A | 2.4138 | |
| 4 | V | A | 1.9620 | |
| 5 | Q | A | -0.3261 | |
| 6 | T | A | -0.8206 | |
| 7 | H | A | -1.7305 | |
| 8 | G | A | -1.7143 | |
| 9 | S | A | -1.6149 | |
| 10 | R | A | -2.2396 | |
| 11 | G | A | -1.0322 | |
| 12 | L | A | 0.1271 | |
| 13 | H | A | -1.1777 | |
| 14 | P | A | -1.3799 | |
| 15 | E | A | -2.2699 | |
| 16 | A | A | -1.5566 | |
| 17 | S | A | -1.6023 | |
| 18 | D | A | -2.5909 | |
| 19 | P | A | -1.9910 | |
| 20 | G | A | -2.3638 | |
| 21 | R | A | -3.0265 | |
| 22 | Q | A | -2.6438 | |
| 23 | P | A | -2.1637 | |
| 24 | S | A | -2.4316 | |
| 25 | R | A | -3.4932 | |
| 26 | R | A | -3.9989 | |
| 27 | R | A | -3.9653 | |
| 28 | S | A | -3.0556 | |
| 29 | R | A | -3.3253 | |
| 30 | Q | A | -2.5690 | |
| 31 | S | A | -1.5375 | |
| 32 | S | A | -0.8138 | |
| 33 | P | A | -0.5369 | |
| 34 | G | A | -0.2079 | |
| 35 | A | A | 0.2023 | |
| 36 | V | A | 1.0403 | |
| 37 | P | A | -0.4022 | |
| 38 | E | A | -2.0071 | |
| 39 | P | A | -1.4808 | |
| 40 | A | A | -1.8051 | |
| 41 | R | A | -3.0156 | |
| 42 | A | A | -2.6418 | |
| 43 | R | A | -4.0756 | |
| 44 | R | A | -4.4573 | |
| 45 | R | A | -4.2227 | |
| 46 | R | A | -3.6215 | |
| 47 | A | A | -1.7845 | |
| 48 | P | A | -1.0207 | |
| 49 | A | A | -0.3883 | |
| 50 | T | A | -0.1502 | |
| 51 | T | A | -0.2134 | |
| 52 | A | A | -0.1872 | |
| 53 | S | A | -0.4854 | |
| 54 | G | A | -1.1080 | |
| 55 | S | A | -1.3999 | |
| 56 | R | A | -2.0099 | |
| 57 | A | A | -0.9278 | |
| 58 | A | A | -0.4728 | |
| 59 | P | A | -0.2374 | |
| 60 | T | A | -0.5715 | |
| 61 | A | A | -1.3980 | |
| 62 | R | A | -2.7277 | |
| 63 | R | A | -2.7626 | |
| 64 | A | A | -1.4095 | |
| 65 | S | A | -0.7739 | |
| 66 | S | A | -0.5059 | |
| 67 | P | A | -0.2315 | |
| 68 | P | A | 0.6610 | |
| 69 | L | A | 2.1180 | |
| 70 | L | A | 2.4225 | |
| 71 | T | A | 1.1491 | |
| 72 | M | A | 0.4383 | |
| 73 | E | A | -1.6059 | |
| 74 | A | A | -1.5024 | |
| 75 | K | A | -1.8098 | |
| 76 | P | A | -0.4893 | |
| 77 | L | A | 0.8679 | |
| 78 | P | A | 0.4058 | |
| 79 | P | A | -0.3606 | |
| 80 | A | A | -1.1289 | |
| 81 | K | A | -3.1753 | |
| 82 | K | A | -3.7849 | |
| 83 | K | A | -3.9107 | |
| 84 | R | A | -3.2404 | |
| 85 | G | A | -1.0648 | |
| 86 | T | A | 0.4617 | |
| 87 | V | A | 2.2207 | |
| 88 | V | A | 2.3502 | |
| 89 | T | A | 0.8876 | |
| 90 | P | A | -0.1517 | |
| 91 | Q | A | -0.8728 | |
| 92 | G | A | -0.8752 | |
| 93 | H | A | -1.0074 | |
| 94 | G | A | -0.4918 | |
| 95 | T | A | -0.6563 | |
| 96 | L | A | -0.3276 | |
| 97 | Q | A | -0.7709 | |
| 98 | A | A | 0.0000 | |
| 99 | I | A | -0.3083 | |
| 100 | D | A | 0.0000 | |
| 101 | V | A | 0.8095 | |
| 102 | A | A | 0.2274 | |
| 103 | T | A | -0.3570 | |
| 104 | N | A | -0.9078 | |
| 105 | G | A | -1.0012 | |
| 106 | A | A | 0.0000 | |
| 107 | V | A | 0.0000 | |
| 108 | E | A | 0.0000 | |
| 109 | I | A | 0.0000 | |
| 110 | K | A | -1.5554 | |
| 111 | Y | A | 0.0000 | |
| 112 | H | A | 0.0000 | |
| 113 | L | A | -0.4402 | |
| 114 | D | A | -1.4673 | |
| 115 | L | A | 0.0000 | |
| 116 | P | A | 0.0000 | |
| 117 | R | A | -2.4780 | |
| 118 | A | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | E | A | -1.6536 | |
| 121 | K | A | -2.1954 | |
| 122 | L | A | -0.9108 | |
| 123 | L | A | 0.0000 | |
| 124 | Q | A | -1.3441 | |
| 125 | V | A | 0.2735 | |
| 126 | N | A | -0.8874 | |
| 127 | R | A | -1.9286 | |
| 128 | A | A | -1.5600 | |
| 129 | P | A | -1.1070 | |
| 130 | P | A | -0.9414 | |
| 131 | L | A | -0.5252 | |
| 132 | P | A | -0.6986 | |
| 133 | T | A | -0.9911 | |
| 134 | D | A | -2.0274 | |
| 135 | L | A | 0.0000 | |
| 136 | T | A | -1.6718 | |
| 137 | P | A | -2.1579 | |
| 138 | Q | A | -2.4807 | |
| 139 | R | A | -2.7860 | |
| 140 | L | A | 0.0000 | |
| 141 | R | A | -3.1471 | |
| 142 | T | A | -2.0643 | |
| 143 | L | A | -1.8026 | |
| 144 | D | A | -2.1839 | |
| 145 | S | A | -1.4988 | |
| 146 | S | A | -1.0328 | |
| 147 | G | A | -1.1875 | |
| 148 | L | A | 0.0000 | |
| 149 | R | A | -2.1490 | |
| 150 | A | A | -0.8878 | |
| 151 | L | A | 0.0000 | |
| 152 | V | A | 0.0000 | |
| 153 | L | A | -1.1064 | |
| 154 | A | A | -0.7973 | |
| 155 | L | A | 0.0000 | |
| 156 | R | A | -1.6903 | |
| 157 | P | A | 0.0000 | |
| 158 | V | A | -0.1718 | |
| 159 | R | A | -1.3454 | |
| 160 | A | A | 0.0000 | |
| 161 | E | A | -0.9021 | |
| 162 | V | A | 0.0000 | |
| 163 | W | A | 0.0000 | |
| 164 | T | A | -0.1028 | |
| 165 | C | A | -0.2401 | |
| 166 | L | A | -0.0323 | |
| 167 | P | A | -1.0179 | |
| 168 | R | A | -1.8660 | |
| 169 | G | A | -1.0281 | |
| 170 | L | A | -0.0561 | |
| 171 | V | A | 0.0000 | |
| 172 | S | A | 0.5144 | |
| 173 | M | A | 0.2944 | |
| 174 | T | A | -0.1887 | |
| 175 | T | A | -0.8388 | |
| 176 | I | A | 0.0000 | |
| 177 | E | A | -2.9834 | |
| 178 | A | A | 0.0000 | |
| 179 | E | A | -3.6068 | |
| 180 | E | A | -3.5223 | |
| 181 | G | A | -2.7228 | |
| 182 | Q | A | -2.7832 | |
| 183 | A | A | -2.2028 | |
| 184 | D | A | -3.1521 | |
| 185 | H | A | -2.6645 | |
| 186 | H | A | -2.4456 | |
| 187 | D | A | -1.6541 | |
| 188 | V | A | 0.9987 | |
| 189 | V | A | 1.2246 | |
| 190 | Q | A | -0.8411 | |
| 191 | H | A | -1.4059 | |
| 192 | Q | A | -1.6458 | |
| 193 | M | A | -0.5543 | |
| 194 | Q | A | -1.4991 | |
| 195 | A | A | -1.0461 | |
| 196 | P | A | -1.3775 | |
| 197 | R | A | -2.1184 | |
| 198 | L | A | 0.0000 | |
| 199 | H | A | -1.2542 | |
| 200 | F | A | -0.4964 | |
| 201 | P | A | -0.4961 | |
| 202 | L | A | 0.0000 | |
| 203 | K | A | -1.1173 | |
| 204 | F | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | V | A | 0.0000 | |
| 207 | K | A | -1.6081 | |
| 208 | G | A | -1.4134 | |
| 209 | T | A | -1.4939 | |
| 210 | Q | A | -2.1785 | |
| 211 | V | A | 0.0000 | |
| 212 | Q | A | 0.0000 | |
| 213 | L | A | 0.0000 | |
| 214 | V | A | 0.0000 | |
| 215 | Q | A | -1.8668 | |
| 216 | H | A | -1.9330 | |
| 217 | V | A | -1.2244 | |
| 218 | H | A | -1.5172 | |
| 219 | P | A | -1.2289 | |
| 220 | V | A | 0.0000 | |
| 221 | Q | A | -3.1086 | |
| 222 | R | A | -3.1745 | |
| 223 | C | A | 0.0000 | |
| 224 | E | A | -2.7757 | |
| 225 | H | A | -1.5086 | |
| 226 | C | A | 0.0000 | |
| 227 | G | A | -1.6900 | |
| 228 | R | A | -2.5321 | |
| 229 | L | A | -2.0271 | |
| 230 | Y | A | -2.2935 | |
| 231 | K | A | -2.4098 | |
| 232 | H | A | -2.4218 | |
| 233 | K | A | -3.0018 | |
| 234 | H | A | -2.7069 | |
| 235 | E | A | -2.3751 | |
| 236 | C | A | -1.6376 | |
| 237 | S | A | -1.4102 | |
| 238 | A | A | -1.2662 | |
| 239 | R | A | -2.0382 | |
| 240 | R | A | -1.5872 | |
| 241 | R | A | -1.1180 | |
| 242 | H | A | -0.5886 | |
| 243 | F | A | 0.1451 | |
| 244 | Y | A | 0.0000 | |
| 245 | F | A | 0.0000 | |
| 246 | H | A | -0.3954 | |
| 247 | H | A | -0.4661 | |
| 248 | I | A | 0.2970 | |
| 249 | N | A | -0.6934 | |
| 250 | S | A | -0.9097 | |
| 251 | H | A | -1.3531 | |
| 252 | S | A | 0.0000 | |
| 253 | S | A | -0.9475 | |
| 254 | N | A | -1.9074 | |
| 255 | W | A | 0.0000 | |
| 256 | W | A | 0.0000 | |
| 257 | Q | A | -2.0267 | |
| 258 | E | A | -2.3440 | |
| 259 | I | A | 0.0000 | |
| 260 | Q | A | -2.1731 | |
| 261 | F | A | 0.0000 | |
| 262 | F | A | 0.2744 | |
| 263 | P | A | 0.0000 | |
| 264 | I | A | 0.0000 | |
| 265 | G | A | 0.0000 | |
| 266 | S | A | 0.0000 | |
| 267 | H | A | 0.0000 | |
| 268 | P | A | -0.9469 | |
| 269 | R | A | -0.8965 | |
| 270 | T | A | 0.0000 | |
| 271 | E | A | -1.0421 | |
| 272 | R | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | F | A | 0.0000 | |
| 275 | L | A | 0.0000 | |
| 276 | T | A | 0.0000 | |
| 277 | Y | A | 0.0000 | |
| 278 | D | A | -0.5036 | |
| 279 | V | A | 0.0000 | |
| 280 | E | A | -0.0791 | |
| 281 | T | A | 0.0853 | |
| 282 | Y | A | 0.0000 | |
| 283 | T | A | 0.0000 | |
| 284 | W | A | 0.6030 | |
| 285 | M | A | 1.2022 | |
| 286 | G | A | 0.8060 | |
| 287 | S | A | 0.7512 | |
| 288 | F | A | 1.5778 | |
| 289 | G | A | 0.5575 | |
| 290 | K | A | -0.1880 | |
| 291 | Q | A | 0.1525 | |
| 292 | L | A | 0.1524 | |
| 293 | V | A | 0.0000 | |
| 294 | P | A | 0.0000 | |
| 295 | F | A | 0.0000 | |
| 296 | M | A | 0.0000 | |
| 297 | L | A | 0.0000 | |
| 298 | V | A | 0.0000 | |
| 299 | M | A | 0.0000 | |
| 300 | K | A | 0.0000 | |
| 301 | L | A | 0.0000 | |
| 302 | S | A | -1.1024 | |
| 303 | G | A | -1.6703 | |
| 304 | D | A | -2.4558 | |
| 305 | D | A | -3.5157 | |
| 306 | R | A | -3.4525 | |
| 307 | L | A | 0.0000 | |
| 308 | V | A | 0.0000 | |
| 309 | E | A | -3.3443 | |
| 310 | L | A | -1.7720 | |
| 311 | A | A | 0.0000 | |
| 312 | L | A | -1.5252 | |
| 313 | D | A | -2.2206 | |
| 314 | L | A | -1.3461 | |
| 315 | A | A | 0.0000 | |
| 316 | L | A | -1.4382 | |
| 317 | Q | A | -1.7257 | |
| 318 | L | A | -1.5426 | |
| 319 | K | A | -2.4960 | |
| 320 | W | A | 0.0000 | |
| 321 | D | A | -2.4297 | |
| 322 | R | A | -2.4509 | |
| 323 | W | A | -1.6206 | |
| 324 | H | A | -1.8030 | |
| 325 | G | A | -1.4289 | |
| 326 | D | A | -1.3955 | |
| 327 | P | A | -1.2549 | |
| 328 | R | A | -1.3881 | |
| 329 | T | A | 0.0000 | |
| 330 | F | A | 0.0000 | |
| 331 | Y | A | -0.4756 | |
| 332 | C | A | 0.0000 | |
| 333 | V | A | 0.0979 | |
| 334 | T | A | -0.6650 | |
| 335 | P | A | -1.3393 | |
| 336 | E | A | -2.3276 | |
| 337 | K | A | -2.1780 | |
| 338 | M | A | -1.2742 | |
| 339 | A | A | -0.9842 | |
| 340 | V | A | 0.0000 | |
| 341 | G | A | 0.0000 | |
| 342 | Q | A | -0.7352 | |
| 343 | Q | A | -0.7392 | |
| 344 | F | A | 0.0000 | |
| 345 | R | A | 0.0000 | |
| 346 | Q | A | -0.9830 | |
| 347 | Y | A | 0.0000 | |
| 348 | R | A | 0.0000 | |
| 349 | D | A | -1.5405 | |
| 350 | R | A | -1.3604 | |
| 351 | L | A | 0.0000 | |
| 352 | Q | A | -0.7323 | |
| 353 | T | A | 0.0000 | |
| 354 | A | A | -0.2672 | |
| 355 | L | A | 0.0000 | |
| 356 | A | A | 0.0000 | |
| 357 | V | A | 0.3385 | |
| 358 | D | A | -0.3079 | |
| 359 | L | A | 0.0000 | |
| 360 | W | A | 0.0000 | |
| 361 | T | A | -0.4855 | |
| 362 | S | A | -0.9643 | |
| 363 | F | A | 0.0000 | |
| 364 | L | A | -1.0342 | |
| 365 | R | A | -2.0077 | |
| 366 | A | A | -1.6830 | |
| 367 | N | A | 0.0000 | |
| 368 | P | A | -1.2469 | |
| 369 | H | A | -1.2879 | |
| 370 | L | A | 0.0000 | |
| 371 | A | A | -1.2455 | |
| 372 | D | A | -2.3209 | |
| 373 | W | A | -1.5457 | |
| 374 | A | A | 0.0000 | |
| 375 | L | A | -1.0080 | |
| 376 | E | A | -2.4196 | |
| 377 | Q | A | -2.3801 | |
| 378 | H | A | -1.5839 | |
| 379 | G | A | -1.1986 | |
| 380 | L | A | -1.2865 | |
| 381 | S | A | -1.3477 | |
| 382 | D | A | -2.2045 | |
| 383 | P | A | -1.7786 | |
| 384 | D | A | -2.2360 | |
| 385 | E | A | -2.9756 | |
| 386 | L | A | 0.0000 | |
| 387 | T | A | -1.9657 | |
| 388 | Y | A | -2.1648 | |
| 389 | E | A | -2.9306 | |
| 390 | E | A | -2.5530 | |
| 391 | L | A | 0.0000 | |
| 392 | K | A | -2.9500 | |
| 393 | K | A | -3.1213 | |
| 394 | L | A | 0.0000 | |
| 395 | P | A | -1.4772 | |
| 396 | H | A | -1.7961 | |
| 397 | V | A | -1.6139 | |
| 398 | K | A | -2.3380 | |
| 399 | G | A | -2.2750 | |
| 400 | R | A | -2.4234 | |
| 401 | P | A | 0.0000 | |
| 402 | R | A | -0.9688 | |
| 403 | F | A | 0.0000 | |
| 404 | V | A | 0.0000 | |
| 405 | E | A | 0.0000 | |
| 406 | L | A | 0.0000 | |
| 407 | Y | A | 0.0000 | |
| 408 | I | A | 0.0000 | |
| 409 | V | A | 0.0000 | |
| 410 | G | A | 0.0000 | |
| 411 | H | A | -0.4730 | |
| 412 | N | A | -0.7587 | |
| 413 | I | A | 0.0000 | |
| 414 | N | A | 0.0000 | |
| 415 | G | A | 0.0000 | |
| 416 | F | A | -0.2361 | |
| 417 | D | A | 0.0000 | |
| 418 | E | A | 0.0000 | |
| 419 | I | A | 0.0000 | |
| 420 | V | A | 0.1525 | |
| 421 | L | A | 0.0000 | |
| 422 | A | A | 0.0000 | |
| 423 | A | A | 0.0000 | |
| 424 | Q | A | 0.0000 | |
| 425 | V | A | -0.0943 | |
| 426 | I | A | 0.0000 | |
| 427 | N | A | -1.1466 | |
| 428 | N | A | -1.3890 | |
| 429 | R | A | -2.6356 | |
| 430 | A | A | -2.1248 | |
| 431 | E | A | -2.4699 | |
| 432 | V | A | -1.2426 | |
| 433 | P | A | -1.4475 | |
| 434 | Q | A | -2.2717 | |
| 435 | P | A | 0.0000 | |
| 436 | F | A | 0.0000 | |
| 437 | R | A | -1.3401 | |
| 438 | I | A | -0.1892 | |
| 439 | T | A | -0.5822 | |
| 440 | R | A | -0.6203 | |
| 441 | N | A | -1.0585 | |
| 442 | F | A | -0.3319 | |
| 443 | M | A | -0.1490 | |
| 444 | P | A | -0.3868 | |
| 445 | R | A | -0.9098 | |
| 446 | A | A | -0.7239 | |
| 447 | G | A | -1.1335 | |
| 448 | K | A | -0.8916 | |
| 449 | I | A | 0.0000 | |
| 450 | L | A | -0.0094 | |
| 451 | F | A | 0.1348 | |
| 452 | N | A | 0.0000 | |
| 453 | D | A | 0.0000 | |
| 454 | V | A | -0.2043 | |
| 455 | T | A | -0.3611 | |
| 456 | F | A | 0.0000 | |
| 457 | A | A | 0.0000 | |
| 458 | L | A | 0.0000 | |
| 459 | P | A | 0.0000 | |
| 460 | N | A | 0.0000 | |
| 461 | P | A | -1.3492 | |
| 462 | A | A | -1.1044 | |
| 463 | Y | A | -1.3477 | |
| 464 | K | A | -2.5949 | |
| 465 | K | A | -2.8380 | |
| 466 | R | A | -1.9455 | |
| 467 | T | A | -1.7085 | |
| 468 | D | A | -1.9067 | |
| 469 | F | A | -1.6876 | |
| 470 | Q | A | -1.8564 | |
| 471 | L | A | -0.9539 | |
| 472 | W | A | 0.0000 | |
| 473 | E | A | -1.6309 | |
| 474 | Q | A | -1.1685 | |
| 475 | G | A | 0.0000 | |
| 476 | G | A | 0.0000 | |
| 477 | C | A | 0.0000 | |
| 478 | D | A | -0.6212 | |
| 479 | D | A | -1.1963 | |
| 480 | I | A | -1.1000 | |
| 481 | D | A | -1.1936 | |
| 482 | F | A | -1.1817 | |
| 483 | K | A | -2.1044 | |
| 484 | H | A | -1.1061 | |
| 485 | Q | A | 0.0000 | |
| 486 | F | A | -0.3259 | |
| 487 | L | A | 0.0000 | |
| 488 | K | A | -0.3629 | |
| 489 | V | A | 0.0000 | |
| 490 | M | A | 0.0000 | |
| 491 | V | A | 0.0000 | |
| 492 | R | A | 0.0000 | |
| 493 | D | A | 0.0000 | |
| 494 | T | A | 0.0000 | |
| 495 | F | A | -0.1740 | |
| 496 | A | A | 0.0000 | |
| 497 | L | A | 0.0000 | |
| 498 | T | A | 0.0000 | |
| 499 | H | A | -1.1055 | |
| 500 | T | A | -1.2757 | |
| 501 | S | A | -1.5323 | |
| 502 | L | A | 0.0000 | |
| 503 | R | A | -3.3006 | |
| 504 | K | A | -3.0118 | |
| 505 | A | A | 0.0000 | |
| 506 | A | A | 0.0000 | |
| 507 | Q | A | -2.1265 | |
| 508 | A | A | -1.6651 | |
| 509 | Y | A | 0.0000 | |
| 510 | A | A | -0.7394 | |
| 511 | L | A | 0.0000 | |
| 512 | P | A | -0.9697 | |
| 513 | V | A | -1.3433 | |
| 514 | E | A | -2.4919 | |
| 515 | K | A | -2.4571 | |
| 516 | G | A | -1.2627 | |
| 517 | C | A | -0.5035 | |
| 518 | C | A | 0.1227 | |
| 519 | A | A | 0.0000 | |
| 520 | Y | A | 0.0683 | |
| 521 | K | A | -1.4971 | |
| 522 | A | A | 0.0000 | |
| 523 | V | A | 0.0000 | |
| 524 | N | A | -0.2659 | |
| 525 | Q | A | -0.2965 | |
| 526 | F | A | 0.0500 | |
| 527 | Y | A | 0.3680 | |
| 528 | M | A | 1.1962 | |
| 529 | L | A | 1.3676 | |
| 530 | G | A | -0.1468 | |
| 531 | S | A | -0.2121 | |
| 532 | Y | A | -0.7310 | |
| 533 | R | A | -2.0033 | |
| 534 | A | A | -1.5238 | |
| 535 | D | A | -1.7058 | |
| 536 | Q | A | -2.0740 | |
| 537 | D | A | -2.1075 | |
| 538 | G | A | -1.8008 | |
| 539 | F | A | 0.0000 | |
| 540 | P | A | 0.0000 | |
| 541 | L | A | -0.9157 | |
| 542 | E | A | -2.3402 | |
| 543 | E | A | -2.2944 | |
| 544 | Y | A | 0.0000 | |
| 545 | W | A | 0.0000 | |
| 546 | K | A | -3.2339 | |
| 547 | D | A | -3.3303 | |
| 548 | R | A | -3.4896 | |
| 549 | E | A | -3.0063 | |
| 550 | E | A | -2.4513 | |
| 551 | F | A | 0.0000 | |
| 552 | L | A | -0.7523 | |
| 553 | L | A | -1.0017 | |
| 554 | N | A | 0.0000 | |
| 555 | R | A | -1.8739 | |
| 556 | E | A | -2.6688 | |
| 557 | L | A | -2.1326 | |
| 558 | W | A | 0.0000 | |
| 559 | K | A | -3.7742 | |
| 560 | Q | A | -3.5453 | |
| 561 | K | A | -3.2406 | |
| 562 | G | A | -2.3666 | |
| 563 | Q | A | -2.0949 | |
| 564 | L | A | -0.5241 | |
| 565 | K | A | -2.2880 | |
| 566 | Y | A | 0.0000 | |
| 567 | D | A | -2.1072 | |
| 568 | I | A | 0.0000 | |
| 569 | I | A | -0.3759 | |
| 570 | Q | A | -0.8908 | |
| 571 | E | A | -0.8058 | |
| 572 | T | A | 0.0000 | |
| 573 | L | A | 0.0000 | |
| 574 | D | A | -0.5364 | |
| 575 | Y | A | -0.2880 | |
| 576 | C | A | 0.0000 | |
| 577 | A | A | 0.0000 | |
| 578 | L | A | -0.2975 | |
| 579 | D | A | -1.0675 | |
| 580 | V | A | 0.0000 | |
| 581 | L | A | -0.0925 | |
| 582 | V | A | 0.0000 | |
| 583 | T | A | 0.0000 | |
| 584 | A | A | 0.0000 | |
| 585 | E | A | -1.2314 | |
| 586 | L | A | 0.0000 | |
| 587 | V | A | 0.0000 | |
| 588 | A | A | -1.3049 | |
| 589 | K | A | -1.7588 | |
| 590 | L | A | 0.0000 | |
| 591 | Q | A | -1.3887 | |
| 592 | D | A | -2.3192 | |
| 593 | S | A | -1.5653 | |
| 594 | Y | A | 0.0000 | |
| 595 | A | A | -1.8951 | |
| 596 | H | A | -2.3065 | |
| 597 | F | A | 0.0000 | |
| 598 | I | A | 0.0000 | |
| 599 | R | A | -3.3234 | |
| 600 | D | A | -3.0171 | |
| 601 | S | A | -1.5590 | |
| 602 | V | A | 0.0000 | |
| 603 | G | A | -1.8917 | |
| 604 | L | A | 0.0000 | |
| 605 | P | A | -2.1146 | |
| 606 | H | A | -1.7419 | |
| 607 | A | A | -1.3528 | |
| 608 | H | A | -1.2164 | |
| 609 | F | A | 0.0000 | |
| 610 | N | A | 0.0000 | |
| 611 | I | A | 0.0000 | |
| 612 | F | A | 0.0000 | |
| 613 | Q | A | -0.4366 | |
| 614 | R | A | -0.3899 | |
| 615 | P | A | 0.0000 | |
| 616 | T | A | -0.1332 | |
| 617 | I | A | 0.0000 | |
| 618 | S | A | -0.3400 | |
| 619 | S | A | -0.2336 | |
| 620 | N | A | 0.0000 | |
| 621 | S | A | 0.0000 | |
| 622 | H | A | 0.0000 | |
| 623 | A | A | -0.0754 | |
| 624 | I | A | 0.0000 | |
| 625 | F | A | 0.0000 | |
| 626 | R | A | -0.3804 | |
| 627 | Q | A | 0.0000 | |
| 628 | I | A | 0.0000 | |
| 629 | V | A | 0.0000 | |
| 630 | Y | A | 0.0000 | |
| 631 | R | A | -1.3757 | |
| 632 | A | A | -1.1442 | |
| 633 | E | A | -1.5475 | |
| 634 | K | A | -2.5698 | |
| 635 | P | A | -1.5888 | |
| 636 | S | A | -1.9074 | |
| 637 | R | A | -1.9671 | |
| 638 | A | A | -1.2032 | |
| 639 | N | A | -1.3436 | |
| 640 | L | A | 0.0000 | |
| 641 | G | A | 0.0000 | |
| 642 | A | A | -0.3614 | |
| 643 | G | A | -0.5446 | |
| 644 | L | A | 0.0000 | |
| 645 | L | A | 0.0000 | |
| 646 | A | A | 0.0000 | |
| 647 | P | A | 0.0000 | |
| 648 | S | A | 0.0000 | |
| 649 | H | A | -1.6859 | |
| 650 | E | A | -1.6029 | |
| 651 | L | A | 0.0000 | |
| 652 | Y | A | 0.0000 | |
| 653 | D | A | -2.1723 | |
| 654 | Y | A | 0.0000 | |
| 655 | V | A | 0.0000 | |
| 656 | R | A | -1.1071 | |
| 657 | A | A | -0.7089 | |
| 658 | S | A | 0.0000 | |
| 659 | I | A | 0.0000 | |
| 660 | R | A | 0.0000 | |
| 661 | G | A | -0.6270 | |
| 662 | G | A | -0.9981 | |
| 663 | R | A | -1.8075 | |
| 664 | C | A | -0.9854 | |
| 665 | Y | A | 0.0000 | |
| 666 | P | A | 0.0000 | |
| 667 | T | A | -0.0393 | |
| 668 | Y | A | -0.0214 | |
| 669 | I | A | 0.0000 | |
| 670 | G | A | 0.0000 | |
| 671 | I | A | -0.2551 | |
| 672 | L | A | 0.0000 | |
| 673 | D | A | -2.7335 | |
| 674 | E | A | -2.6198 | |
| 675 | P | A | -1.5349 | |
| 676 | L | A | 0.0000 | |
| 677 | Y | A | 0.0000 | |
| 678 | V | A | 0.0000 | |
| 679 | Y | A | 0.0000 | |
| 680 | D | A | -1.4413 | |
| 681 | I | A | 0.0000 | |
| 682 | C | A | -0.5507 | |
| 683 | G | A | -0.7897 | |
| 684 | M | A | 0.0000 | |
| 685 | Y | A | -0.1400 | |
| 686 | A | A | -0.2949 | |
| 687 | S | A | 0.0000 | |
| 688 | A | A | 0.0000 | |
| 689 | L | A | 0.0000 | |
| 690 | T | A | 0.0000 | |
| 691 | H | A | 0.0000 | |
| 692 | P | A | -0.3941 | |
| 693 | M | A | 0.0000 | |
| 694 | P | A | 0.0000 | |
| 695 | W | A | 0.0000 | |
| 696 | G | A | -0.4376 | |
| 697 | T | A | -0.2523 | |
| 698 | P | A | 0.0000 | |
| 699 | L | A | 0.1917 | |
| 700 | S | A | 0.0000 | |
| 701 | P | A | -0.1741 | |
| 702 | Y | A | 0.7067 | |
| 703 | E | A | 0.4002 | |
| 704 | R | A | 0.0000 | |
| 705 | A | A | -0.2439 | |
| 706 | L | A | -0.1229 | |
| 707 | A | A | 0.0000 | |
| 708 | V | A | -0.8575 | |
| 709 | R | A | -2.3755 | |
| 710 | E | A | -2.7473 | |
| 711 | W | A | 0.0000 | |
| 712 | Q | A | -2.0800 | |
| 713 | A | A | -2.1861 | |
| 714 | S | A | -1.6587 | |
| 715 | L | A | 0.0000 | |
| 716 | D | A | -2.7439 | |
| 717 | D | A | -2.2429 | |
| 718 | L | A | -0.9198 | |
| 719 | G | A | -0.7734 | |
| 720 | T | A | -0.4548 | |
| 721 | C | A | 0.3004 | |
| 722 | I | A | 0.0000 | |
| 723 | S | A | -0.3118 | |
| 724 | Y | A | -0.1741 | |
| 725 | F | A | -0.4726 | |
| 726 | D | A | -1.0323 | |
| 727 | P | A | -1.3606 | |
| 728 | D | A | -2.3785 | |
| 729 | L | A | 0.0000 | |
| 730 | L | A | -0.7631 | |
| 731 | P | A | 0.0000 | |
| 732 | G | A | 0.0000 | |
| 733 | I | A | 0.0000 | |
| 734 | F | A | 0.0000 | |
| 735 | T | A | 0.0000 | |
| 736 | I | A | 0.0000 | |
| 737 | D | A | -1.0141 | |
| 738 | A | A | 0.0000 | |
| 739 | D | A | -1.2454 | |
| 740 | P | A | 0.0000 | |
| 741 | P | A | -1.2834 | |
| 742 | D | A | -2.2309 | |
| 743 | E | A | -1.5879 | |
| 744 | L | A | -0.2355 | |
| 745 | M | A | -0.6838 | |
| 746 | L | A | 0.0000 | |
| 747 | D | A | 0.0000 | |
| 748 | P | A | 0.0523 | |
| 749 | L | A | 0.0000 | |
| 750 | P | A | 0.0000 | |
| 751 | P | A | 0.0000 | |
| 752 | F | A | 0.0000 | |
| 753 | C | A | 0.0000 | |
| 754 | S | A | 0.0000 | |
| 755 | R | A | -2.4021 | |
| 756 | K | A | -3.0612 | |
| 757 | G | A | 0.0000 | |
| 758 | G | A | -2.7304 | |
| 759 | R | A | -2.7244 | |
| 760 | L | A | -1.7992 | |
| 761 | C | A | 0.0000 | |
| 762 | W | A | 0.0000 | |
| 763 | T | A | 0.0000 | |
| 764 | N | A | 0.0000 | |
| 765 | E | A | -1.3518 | |
| 766 | P | A | -1.0318 | |
| 767 | L | A | 0.0000 | |
| 768 | R | A | -1.1956 | |
| 769 | G | A | -0.8842 | |
| 770 | E | A | 0.0000 | |
| 771 | V | A | -0.0132 | |
| 772 | A | A | 0.0000 | |
| 773 | T | A | 0.0000 | |
| 774 | S | A | 0.0000 | |
| 775 | V | A | 0.0000 | |
| 776 | D | A | 0.0000 | |
| 777 | L | A | 0.0000 | |
| 778 | I | A | 0.0000 | |
| 779 | T | A | 0.0000 | |
| 780 | L | A | 0.0000 | |
| 781 | H | A | 0.0000 | |
| 782 | N | A | -0.3397 | |
| 783 | R | A | -0.3807 | |
| 784 | G | A | -0.6792 | |
| 785 | W | A | 0.0000 | |
| 786 | Q | A | -1.8029 | |
| 787 | V | A | 0.0000 | |
| 788 | R | A | -1.3555 | |
| 789 | I | A | -0.3852 | |
| 790 | V | A | -0.2518 | |
| 791 | P | A | -0.6287 | |
| 792 | D | A | -1.2245 | |
| 793 | E | A | -1.7432 | |
| 794 | L | A | -0.7946 | |
| 795 | T | A | 0.0000 | |
| 796 | T | A | 0.0000 | |
| 797 | V | A | 0.0000 | |
| 798 | F | A | 0.0000 | |
| 799 | P | A | -0.6422 | |
| 800 | E | A | -1.6068 | |
| 801 | W | A | -0.6237 | |
| 802 | K | A | -0.8423 | |
| 803 | C | A | -0.6245 | |
| 804 | V | A | 0.0000 | |
| 805 | A | A | 0.0000 | |
| 806 | R | A | -1.6476 | |
| 807 | E | A | -2.1973 | |
| 808 | Y | A | 0.0000 | |
| 809 | V | A | 0.0000 | |
| 810 | Q | A | -1.2440 | |
| 811 | L | A | -0.6849 | |
| 812 | N | A | 0.0000 | |
| 813 | I | A | -1.2684 | |
| 814 | A | A | -1.4031 | |
| 815 | A | A | 0.0000 | |
| 816 | K | A | -3.6541 | |
| 817 | E | A | -4.4247 | |
| 818 | R | A | -4.8974 | |
| 819 | A | A | 0.0000 | |
| 820 | D | A | -5.5342 | |
| 821 | K | A | -5.2734 | |
| 822 | E | A | -5.1363 | |
| 823 | K | A | -4.7098 | |
| 824 | N | A | -3.6965 | |
| 825 | Q | A | -2.5551 | |
| 826 | T | A | -1.3337 | |
| 827 | M | A | 0.0000 | |
| 828 | R | A | -3.4515 | |
| 829 | S | A | 0.0000 | |
| 830 | I | A | 0.0000 | |
| 831 | A | A | 0.0000 | |
| 832 | K | A | -1.8453 | |
| 833 | L | A | -1.0990 | |
| 834 | L | A | 0.0000 | |
| 835 | S | A | -1.0737 | |
| 836 | N | A | -1.5765 | |
| 837 | A | A | -0.7829 | |
| 838 | L | A | 0.0000 | |
| 839 | Y | A | -0.1929 | |
| 840 | G | A | -0.5898 | |
| 841 | S | A | 0.0000 | |
| 842 | F | A | 0.0000 | |
| 843 | A | A | -0.3892 | |
| 844 | T | A | -1.0049 | |
| 845 | K | A | -1.8282 | |
| 846 | L | A | -1.9658 | |
| 847 | D | A | -3.1326 | |
| 848 | N | A | -2.6169 | |
| 849 | K | A | -2.8840 | |
| 850 | K | A | -2.2906 | |
| 851 | I | A | -0.6895 | |
| 852 | V | A | 0.0000 | |
| 853 | F | A | 0.0000 | |
| 854 | S | A | -0.8611 | |
| 855 | D | A | -1.4001 | |
| 856 | Q | A | -1.1411 | |
| 857 | M | A | -0.9151 | |
| 858 | D | A | -2.0373 | |
| 859 | E | A | -2.4560 | |
| 860 | G | A | -1.7150 | |
| 861 | L | A | -1.0319 | |
| 862 | L | A | -0.4503 | |
| 863 | K | A | -1.8443 | |
| 864 | G | A | -1.0748 | |
| 865 | I | A | -0.3385 | |
| 866 | S | A | -0.5602 | |
| 867 | A | A | -0.5417 | |
| 868 | G | A | -0.5889 | |
| 869 | T | A | -0.8253 | |
| 870 | V | A | 0.0000 | |
| 871 | N | A | -1.4961 | |
| 872 | I | A | -0.8662 | |
| 873 | K | A | -1.8840 | |
| 874 | S | A | -0.7609 | |
| 875 | S | A | -0.0882 | |
| 876 | S | A | 0.2096 | |
| 877 | F | A | 0.6765 | |
| 878 | L | A | 0.0000 | |
| 879 | E | A | -0.6374 | |
| 880 | T | A | -0.9206 | |
| 881 | D | A | -2.0828 | |
| 882 | N | A | -1.3682 | |
| 883 | L | A | 0.0000 | |
| 884 | S | A | -0.8950 | |
| 885 | A | A | -0.5169 | |
| 886 | E | A | -0.5898 | |
| 887 | V | A | 1.3076 | |
| 888 | M | A | 0.9448 | |
| 889 | P | A | 0.0665 | |
| 890 | A | A | -0.2336 | |
| 891 | F | A | -0.7060 | |
| 892 | E | A | -2.5136 | |
| 893 | R | A | -2.7032 | |
| 894 | E | A | -2.2375 | |
| 895 | Y | A | -1.0383 | |
| 896 | L | A | -0.5606 | |
| 897 | P | A | -0.6731 | |
| 898 | Q | A | -1.1949 | |
| 899 | Q | A | -1.0040 | |
| 900 | L | A | 0.5192 | |
| 901 | A | A | 0.4677 | |
| 902 | L | A | 1.5804 | |
| 903 | L | A | 1.2678 | |
| 904 | D | A | -1.3830 | |
| 905 | S | A | -1.7159 | |
| 906 | D | A | -3.1189 | |
| 907 | P | A | -2.8319 | |
| 908 | E | A | -3.6061 | |
| 909 | D | A | -3.8373 | |
| 910 | S | A | -3.2583 | |
| 911 | E | A | -4.0580 | |
| 912 | D | A | -4.3384 | |
| 913 | E | A | -4.2528 | |
| 914 | Q | A | -3.6646 | |
| 915 | R | A | -3.3489 | |
| 916 | P | A | -1.3654 | |
| 917 | A | A | -0.3468 | |
| 918 | P | A | 0.6550 | |
| 919 | F | A | 2.2811 | |
| 920 | Y | A | 1.9909 | |
| 921 | T | A | 0.8625 | |
| 922 | P | A | 0.2985 | |
| 923 | P | A | -0.1815 | |
| 924 | A | A | -0.3886 | |
| 925 | G | A | -0.8941 | |
| 926 | T | A | -0.6925 | |
| 927 | P | A | -0.6301 | |
| 928 | G | A | -0.7900 | |
| 929 | H | A | -1.1269 | |
| 930 | V | A | -0.3852 | |
| 931 | A | A | 0.0000 | |
| 932 | Y | A | -0.5435 | |
| 933 | T | A | -1.0633 | |
| 934 | Y | A | -0.6464 | |
| 935 | K | A | -1.1707 | |
| 936 | P | A | 0.0409 | |
| 937 | I | A | 0.9494 | |
| 938 | T | A | 0.5149 | |
| 939 | F | A | 0.9716 | |
| 940 | L | A | -0.7242 | |
| 941 | D | A | -1.8734 | |
| 942 | V | A | -1.9608 | |
| 943 | D | A | -3.1629 | |
| 944 | E | A | -2.5303 | |
| 945 | G | A | -1.6567 | |
| 946 | D | A | 0.0000 | |
| 947 | M | A | 0.0000 | |
| 948 | C | A | 0.0000 | |
| 949 | L | A | 0.0000 | |
| 950 | H | A | -0.3951 | |
| 951 | T | A | -1.0880 | |
| 952 | L | A | 0.0000 | |
| 953 | E | A | -2.4400 | |
| 954 | K | A | -2.0995 | |
| 955 | V | A | -0.4097 | |
| 956 | D | A | -0.9839 | |
| 957 | P | A | -0.9946 | |
| 958 | L | A | -1.0876 | |
| 959 | V | A | 0.0000 | |
| 960 | D | A | -2.7609 | |
| 961 | N | A | 0.0000 | |
| 962 | D | A | -2.7183 | |
| 963 | R | A | -2.7988 | |
| 964 | Y | A | -1.1735 | |
| 965 | P | A | 0.0000 | |
| 966 | S | A | 0.0000 | |
| 967 | H | A | 0.0000 | |
| 968 | V | A | 0.0000 | |
| 969 | A | A | 0.0000 | |
| 970 | S | A | 0.0000 | |
| 971 | F | A | 0.0000 | |
| 972 | V | A | 0.0000 | |
| 973 | L | A | 0.0000 | |
| 974 | A | A | 0.0000 | |
| 975 | W | A | 0.0000 | |
| 976 | T | A | 0.0000 | |
| 977 | R | A | 0.0000 | |
| 978 | A | A | 0.0000 | |
| 979 | F | A | 0.0000 | |
| 980 | V | A | -0.0677 | |
| 981 | S | A | -0.1965 | |
| 982 | E | A | -0.3528 | |
| 983 | W | A | 0.0000 | |
| 984 | S | A | 0.0000 | |
| 985 | G | A | -1.1169 | |
| 986 | F | A | -1.1501 | |
| 987 | L | A | 0.0000 | |
| 988 | Y | A | 0.0000 | |
| 989 | D | A | -2.7232 | |
| 990 | E | A | -2.5445 | |
| 991 | D | A | 0.0000 | |
| 992 | R | A | -1.5534 | |
| 993 | G | A | -0.6437 | |
| 994 | V | A | -0.2557 | |
| 995 | P | A | -0.7087 | |
| 996 | L | A | -0.8524 | |
| 997 | E | A | -2.0731 | |
| 998 | D | A | -2.1427 | |
| 999 | R | A | 0.0000 | |
| 1000 | P | A | -0.5409 | |
| 1001 | I | A | -0.1889 | |
| 1002 | K | A | 0.0000 | |
| 1003 | S | A | -0.0442 | |
| 1004 | V | A | 0.0000 | |
| 1005 | Y | A | 0.0000 | |
| 1006 | G | A | 0.0000 | |
| 1007 | D | A | -0.9810 | |
| 1008 | T | A | -1.0187 | |
| 1009 | D | A | -1.1353 | |
| 1010 | S | A | -0.9392 | |
| 1011 | L | A | 0.0000 | |
| 1012 | F | A | 0.0000 | |
| 1013 | V | A | 0.0000 | |
| 1014 | T | A | 0.0000 | |
| 1015 | Q | A | -1.4053 | |
| 1016 | R | A | -1.4106 | |
| 1017 | G | A | 0.0000 | |
| 1018 | H | A | -1.4134 | |
| 1019 | E | A | -1.9756 | |
| 1020 | L | A | 0.0000 | |
| 1021 | M | A | 0.0000 | |
| 1022 | E | A | -2.7581 | |
| 1023 | T | A | -1.9199 | |
| 1024 | R | A | -1.8576 | |
| 1025 | G | A | 0.0000 | |
| 1026 | K | A | -3.7180 | |
| 1027 | K | A | -3.6360 | |
| 1028 | R | A | 0.0000 | |
| 1029 | I | A | 0.0000 | |
| 1030 | K | A | -3.0768 | |
| 1031 | K | A | -3.1887 | |
| 1032 | N | A | -3.1083 | |
| 1033 | G | A | -2.6367 | |
| 1034 | G | A | -2.6015 | |
| 1035 | K | A | -2.3740 | |
| 1036 | L | A | -0.9307 | |
| 1037 | V | A | 0.0000 | |
| 1038 | F | A | 0.0000 | |
| 1039 | D | A | -1.7753 | |
| 1040 | P | A | -1.6009 | |
| 1041 | N | A | -2.2523 | |
| 1042 | Q | A | -2.4533 | |
| 1043 | P | A | -2.0061 | |
| 1044 | D | A | -2.3087 | |
| 1045 | L | A | 0.0000 | |
| 1046 | T | A | 0.0000 | |
| 1047 | W | A | 0.0000 | |
| 1048 | L | A | 0.0000 | |
| 1049 | V | A | 0.0000 | |
| 1050 | E | A | -1.7727 | |
| 1051 | C | A | 0.0000 | |
| 1052 | E | A | -1.8287 | |
| 1053 | T | A | 0.0000 | |
| 1054 | V | A | 0.2154 | |
| 1055 | C | A | 0.0000 | |
| 1056 | A | A | -0.5686 | |
| 1057 | H | A | -0.9850 | |
| 1058 | C | A | -0.2351 | |
| 1059 | G | A | -0.2441 | |
| 1060 | A | A | -0.0766 | |
| 1061 | D | A | -0.3131 | |
| 1062 | A | A | 0.0000 | |
| 1063 | Y | A | -0.2216 | |
| 1064 | A | A | 0.0000 | |
| 1065 | P | A | -1.4008 | |
| 1066 | E | A | -1.9783 | |
| 1067 | S | A | 0.0000 | |
| 1068 | V | A | 0.0000 | |
| 1069 | F | A | 0.0000 | |
| 1070 | L | A | 0.0000 | |
| 1071 | A | A | -1.0040 | |
| 1072 | P | A | -0.9179 | |
| 1073 | K | A | -1.3014 | |
| 1074 | L | A | 0.0000 | |
| 1075 | Y | A | 0.0000 | |
| 1076 | A | A | 0.0000 | |
| 1077 | L | A | 0.0000 | |
| 1078 | K | A | -1.9278 | |
| 1079 | S | A | -1.2187 | |
| 1080 | L | A | -0.6857 | |
| 1081 | L | A | -0.2709 | |
| 1082 | C | A | 0.0000 | |
| 1083 | P | A | -0.4215 | |
| 1084 | A | A | -0.3399 | |
| 1085 | C | A | -0.4722 | |
| 1086 | G | A | -0.9963 | |
| 1087 | Q | A | -1.4214 | |
| 1088 | T | A | -1.0675 | |
| 1089 | S | A | -1.3251 | |
| 1090 | K | A | -1.9979 | |
| 1091 | G | A | -1.4512 | |
| 1092 | K | A | -1.1417 | |
| 1093 | L | A | -1.0026 | |
| 1094 | R | A | -1.2978 | |
| 1095 | A | A | 0.0000 | |
| 1096 | K | A | -2.2445 | |
| 1097 | G | A | -1.5889 | |
| 1098 | H | A | -1.7282 | |
| 1099 | A | A | 0.0000 | |
| 1100 | A | A | -1.6122 | |
| 1101 | E | A | -2.1186 | |
| 1102 | A | A | -1.3075 | |
| 1103 | L | A | 0.0000 | |
| 1104 | N | A | -1.8021 | |
| 1105 | Y | A | -1.5265 | |
| 1106 | E | A | -2.2202 | |
| 1107 | L | A | -0.9162 | |
| 1108 | M | A | 0.0000 | |
| 1109 | V | A | -0.7492 | |
| 1110 | N | A | -1.3959 | |
| 1111 | C | A | 0.0000 | |
| 1112 | Y | A | -0.5774 | |
| 1113 | L | A | -0.1450 | |
| 1114 | A | A | 0.0000 | |
| 1115 | D | A | -2.3802 | |
| 1116 | A | A | -0.9874 | |
| 1117 | Q | A | -1.6345 | |
| 1118 | G | A | -2.1237 | |
| 1119 | A | A | -2.8602 | |
| 1120 | D | A | -3.9425 | |
| 1121 | R | A | -4.1104 | |
| 1122 | E | A | -4.2363 | |
| 1123 | R | A | -3.7554 | |
| 1124 | F | A | -2.0023 | |
| 1125 | S | A | -1.5273 | |
| 1126 | T | A | 0.0000 | |
| 1127 | S | A | -1.0022 | |
| 1128 | R | A | -1.5353 | |
| 1129 | M | A | -0.0464 | |
| 1130 | S | A | -0.3279 | |
| 1131 | L | A | -0.6962 | |
| 1132 | K | A | -1.8918 | |
| 1133 | R | A | -1.8391 | |
| 1134 | T | A | -1.1230 | |
| 1135 | L | A | 0.0000 | |
| 1136 | A | A | -0.2738 | |
| 1137 | S | A | -0.4672 | |
| 1138 | A | A | -0.9169 | |
| 1139 | Q | A | -1.4645 | |
| 1140 | P | A | -1.0900 | |
| 1141 | G | A | -0.6473 | |
| 1142 | A | A | -0.6657 | |
| 1143 | H | A | -0.3546 | |
| 1144 | P | A | 0.0000 | |
| 1145 | F | A | 0.0000 | |
| 1146 | T | A | -0.5642 | |
| 1147 | V | A | 0.0000 | |
| 1148 | T | A | -0.9916 | |
| 1149 | E | A | -0.8310 | |
| 1150 | T | A | -0.5447 | |
| 1151 | T | A | -0.2005 | |
| 1152 | L | A | 0.0184 | |
| 1153 | T | A | -0.6758 | |
| 1154 | R | A | -1.7627 | |
| 1155 | T | A | -1.5189 | |
| 1156 | L | A | 0.0000 | |
| 1157 | R | A | -2.4315 | |
| 1158 | P | A | 0.0000 | |
| 1159 | W | A | -1.5596 | |
| 1160 | K | A | -2.5498 | |
| 1161 | D | A | -2.0260 | |
| 1162 | R | A | -1.5271 | |
| 1163 | T | A | -1.1828 | |
| 1164 | L | A | 0.0000 | |
| 1165 | A | A | -0.7251 | |
| 1166 | A | A | -0.6839 | |
| 1167 | L | A | -0.9356 | |
| 1168 | D | A | -1.1641 | |
| 1169 | A | A | -0.5241 | |
| 1170 | H | A | -0.5266 | |
| 1171 | R | A | -0.6929 | |
| 1172 | L | A | 0.0000 | |
| 1173 | A | A | 0.0000 | |
| 1174 | P | A | 0.0000 | |
| 1175 | Y | A | 0.0000 | |
| 1176 | S | A | 0.0000 | |
| 1177 | R | A | -2.9607 | |
| 1178 | S | A | -2.1292 | |
| 1179 | R | A | -2.6053 | |
| 1180 | P | A | -2.1109 | |
| 1181 | N | A | 0.0000 | |
| 1182 | P | A | -1.5218 | |
| 1183 | R | A | -2.6685 | |
| 1184 | N | A | -2.8549 | |
| 1185 | E | A | -2.9327 | |
| 1186 | E | A | -1.9566 | |
| 1187 | V | A | 1.2467 | |
| 1188 | C | A | 1.6668 | |
| 1189 | W | A | 2.4165 | |
| 1190 | I | A | 2.4471 | |
| 1191 | E | A | 0.0338 | |
| 1192 | M | A | 0.8227 | |
| 1193 | P | A | 0.0382 |
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 | -0.7776 | 6.4146 | View | CSV | PDB |
| 4.5 | -0.8464 | 6.4146 | View | CSV | PDB |
| 5.0 | -0.9287 | 6.4146 | View | CSV | PDB |
| 5.5 | -1.0093 | 6.4146 | View | CSV | PDB |
| 6.0 | -1.0731 | 6.4146 | View | CSV | PDB |
| 6.5 | -1.11 | 6.4146 | View | CSV | PDB |
| 7.0 | -1.1218 | 6.4145 | View | CSV | PDB |
| 7.5 | -1.1182 | 6.4145 | View | CSV | PDB |
| 8.0 | -1.106 | 6.4144 | View | CSV | PDB |
| 8.5 | -1.0861 | 6.4142 | View | CSV | PDB |
| 9.0 | -1.0562 | 6.4134 | 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