| Chain sequence(s) |
A: KEQFRETDVAKKISHICFGMKSPEEMRQQAHIQVVSKNLYSQDNQHAPLLYGVLDHRMGTSEKDRPCETCGKNLADCLGHYGYIDLELPCFHVGYFRAVIGILQMICKTCCHIMLSQEEKKQFLDYLKRPGLTYLQKRGLKKKISDKCRKKNICHHCGAFNGTVKKCGLLKIIHEKYKTNKKVVDPIVSNFLQSFETAIEHNKEVEPLLGRAQENLNPLVVLNLFKRIPAEDVPLLLMNPEAGKPSDLILTRLLVPPLCIRPSVVSDLKSGTNEDDLTMKLTEIIFLNDVIKKHRISGAKTQMIMEDWDFLQLQCALYINSELSGIPLNMAPKKWTRGFVQRLKGKQGRFRGNLSGKRVDFSGRTVISPDPNLRIDEVAVPVHVAKILTFPEKVNKANINFLRKLVQNGPEVHPGANFIQQRHTQMKRFLKYGNREKMAQELKYGDIVERHLIDGDVVLFNRQPSLHKLSIMAHLARVKPHRTFRFNECVCTPYNADFDGDEMNLHLPQTEEAKAEALVLMGTKANLVTPRNGEPLIAAIQDFLTGAYLLTLKDTFFDRAKACQIIASILVGKDEKIKVRLPPPTILKPVTLWTGKQIFSVILRPSDDNPVRANLRTKGKQYCGKGEDLCANDSYVTIQNSELMSGSMDKGTLGSGSKNNIFYILLRDWGQNEAADAMSRLARLAPVYLSNRGFSIGIGDVTPGQGLLKAKYELLNAGYKKCDEYIEALNTGKLQQQPGCTAEETLEALILKELSVIRDHAGSACLRELDKSNSPLTMALCGSKGSFINISQMIACVGQQAISGSRVPDGFENRSLPHFEKHSKLPAAKGFVANSFYSGLTPTEFFFHTMAGREGLVDTAVKTAETGYMQRRLVKSLEDLCSQYDLTVRSSTGDIIQFIYGGDGLDPAAMEGKDEPLEFKRVLDNIKAVFPCPSEPALSKNELILTTESIMKKSEFLCCQDSFLQEIKKFIKGVSEKIKKTRDKYGINDNGTTEPRVLYQLDRITPTQVEKFLETCRDKYMRAQMEPGSAVGALCAQSIGEPGTQMTLKTFHFAGVASMNITLGVPRIKEIINASKAISTPIITAQLDKDDDADYARLVKGRIEKTLLGEISEYIEEVFLPDDCFILVKLSLERIRLLRLEVNAETVRYSICTSKLRVKPGDVAVHGEAVVCVTPRENSKSSMYYVLQFLKEDLPKVVVQGIPEVSRAVIHIDEQSGKEKYKLLVEGDNLRAVMATHGVKGTRTTSNNTYEVEKTLGIEAARTTIINEIQYTMVNHGMSIDRRHVMLLSDLMTYKGEVLGITRFGLAKMKESVLMLASFEKTADHLFDAAYFGQKDSVCGVSECIIMGIPMNIGTGLFKLLHKADRDPNPPKRPLIFDTNEFHIPLVT
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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:08)
[INFO] FoldX: Starting FoldX energy minimization (00:00:09)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:21:20)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ba672a739bea5f3/tmp/folded.pdb (00:21:20)
[INFO] Main: Simulation completed successfully. (00:29:02)
|
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 | K | A | -2.6177 | |
| 2 | E | A | -2.9652 | |
| 3 | Q | A | -2.0042 | |
| 4 | F | A | -0.6347 | |
| 5 | R | A | -2.3401 | |
| 6 | E | A | -2.5198 | |
| 7 | T | A | -1.7049 | |
| 8 | D | A | -1.5931 | |
| 9 | V | A | -0.0557 | |
| 10 | A | A | -0.8537 | |
| 11 | K | A | -1.9717 | |
| 12 | K | A | -1.8894 | |
| 13 | I | A | -0.3535 | |
| 14 | S | A | -0.3845 | |
| 15 | H | A | -0.4029 | |
| 16 | I | A | 0.1470 | |
| 17 | C | A | -0.0260 | |
| 18 | F | A | -0.0623 | |
| 19 | G | A | -0.8667 | |
| 20 | M | A | -0.8942 | |
| 21 | K | A | -2.2347 | |
| 22 | S | A | -1.8364 | |
| 23 | P | A | 0.0000 | |
| 24 | E | A | -3.3323 | |
| 25 | E | A | -3.0294 | |
| 26 | M | A | 0.0000 | |
| 27 | R | A | -3.8224 | |
| 28 | Q | A | -3.1229 | |
| 29 | Q | A | -2.4926 | |
| 30 | A | A | -1.8739 | |
| 31 | H | A | -1.8907 | |
| 32 | I | A | 0.0000 | |
| 33 | Q | A | -0.3218 | |
| 34 | V | A | 0.0000 | |
| 35 | V | A | 1.2987 | |
| 36 | S | A | 0.5108 | |
| 37 | K | A | -0.5399 | |
| 38 | N | A | -0.8816 | |
| 39 | L | A | -0.3539 | |
| 40 | Y | A | -0.7876 | |
| 41 | S | A | -1.6103 | |
| 42 | Q | A | -2.5377 | |
| 43 | D | A | -2.9270 | |
| 44 | N | A | -2.9894 | |
| 45 | Q | A | -2.8113 | |
| 46 | H | A | -2.4894 | |
| 47 | A | A | -1.1957 | |
| 48 | P | A | -0.0322 | |
| 49 | L | A | 0.9771 | |
| 50 | L | A | 1.8011 | |
| 51 | Y | A | 1.7468 | |
| 52 | G | A | 0.0000 | |
| 53 | V | A | 0.0000 | |
| 54 | L | A | 0.0000 | |
| 55 | D | A | 0.0000 | |
| 56 | H | A | 0.0000 | |
| 57 | R | A | -1.0148 | |
| 58 | M | A | 0.0000 | |
| 59 | G | A | 0.0000 | |
| 60 | T | A | 0.0000 | |
| 61 | S | A | -0.1782 | |
| 62 | E | A | -1.8154 | |
| 63 | K | A | -3.1387 | |
| 64 | D | A | -3.1397 | |
| 65 | R | A | -2.7163 | |
| 66 | P | A | -2.6226 | |
| 67 | C | A | 0.0000 | |
| 68 | E | A | -2.3183 | |
| 69 | T | A | -1.2933 | |
| 70 | C | A | -0.9453 | |
| 71 | G | A | -1.5660 | |
| 72 | K | A | -2.2179 | |
| 73 | N | A | -2.5991 | |
| 74 | L | A | -1.3880 | |
| 75 | A | A | -1.1106 | |
| 76 | D | A | -1.8116 | |
| 77 | C | A | 0.0000 | |
| 78 | L | A | 1.1586 | |
| 79 | G | A | 0.2503 | |
| 80 | H | A | -0.1615 | |
| 81 | Y | A | -0.7355 | |
| 82 | G | A | 0.0000 | |
| 83 | Y | A | 0.0000 | |
| 84 | I | A | 0.0000 | |
| 85 | D | A | -1.2802 | |
| 86 | L | A | 0.0000 | |
| 87 | E | A | -1.4451 | |
| 88 | L | A | 0.0000 | |
| 89 | P | A | -0.0875 | |
| 90 | C | A | 0.0000 | |
| 91 | F | A | 0.0000 | |
| 92 | H | A | -0.3078 | |
| 93 | V | A | -0.2697 | |
| 94 | G | A | -0.7039 | |
| 95 | Y | A | 0.0000 | |
| 96 | F | A | 0.0000 | |
| 97 | R | A | -2.3612 | |
| 98 | A | A | 0.0000 | |
| 99 | V | A | 0.0000 | |
| 100 | I | A | 0.0000 | |
| 101 | G | A | -1.2276 | |
| 102 | I | A | 0.0000 | |
| 103 | L | A | 0.0000 | |
| 104 | Q | A | -1.1602 | |
| 105 | M | A | 0.0000 | |
| 106 | I | A | 0.0000 | |
| 107 | C | A | 0.0000 | |
| 108 | K | A | -0.2598 | |
| 109 | T | A | -0.1486 | |
| 110 | C | A | -0.2348 | |
| 111 | C | A | 0.0000 | |
| 112 | H | A | -0.8275 | |
| 113 | I | A | 0.0000 | |
| 114 | M | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | S | A | -2.2046 | |
| 117 | Q | A | -3.0980 | |
| 118 | E | A | -3.4652 | |
| 119 | E | A | -2.7000 | |
| 120 | K | A | -2.4293 | |
| 121 | K | A | -3.3360 | |
| 122 | Q | A | -2.7584 | |
| 123 | F | A | 0.0000 | |
| 124 | L | A | -1.6593 | |
| 125 | D | A | -1.9809 | |
| 126 | Y | A | -1.4021 | |
| 127 | L | A | -1.4963 | |
| 128 | K | A | -2.4917 | |
| 129 | R | A | -2.6214 | |
| 130 | P | A | -1.5804 | |
| 131 | G | A | -1.1534 | |
| 132 | L | A | -0.8662 | |
| 133 | T | A | -0.9147 | |
| 134 | Y | A | 0.0000 | |
| 135 | L | A | -0.4920 | |
| 136 | Q | A | -1.1692 | |
| 137 | K | A | -1.2384 | |
| 138 | R | A | -1.7413 | |
| 139 | G | A | -1.8635 | |
| 140 | L | A | 0.0000 | |
| 141 | K | A | -2.2887 | |
| 142 | K | A | -3.1658 | |
| 143 | K | A | -3.0319 | |
| 144 | I | A | 0.0000 | |
| 145 | S | A | 0.0000 | |
| 146 | D | A | -2.8643 | |
| 147 | K | A | -2.6605 | |
| 148 | C | A | 0.0000 | |
| 149 | R | A | -3.5546 | |
| 150 | K | A | -3.2110 | |
| 151 | K | A | -2.1870 | |
| 152 | N | A | -1.4487 | |
| 153 | I | A | 0.3289 | |
| 154 | C | A | 0.0000 | |
| 155 | H | A | -1.2340 | |
| 156 | H | A | -0.7890 | |
| 157 | C | A | 0.0567 | |
| 158 | G | A | -0.1861 | |
| 159 | A | A | 0.2810 | |
| 160 | F | A | 0.6129 | |
| 161 | N | A | 0.0000 | |
| 162 | G | A | -1.4612 | |
| 163 | T | A | -1.6211 | |
| 164 | V | A | 0.0000 | |
| 165 | K | A | -2.1103 | |
| 166 | K | A | -2.1633 | |
| 167 | C | A | -0.7431 | |
| 168 | G | A | -0.5488 | |
| 169 | L | A | -0.1664 | |
| 170 | L | A | 0.0000 | |
| 171 | K | A | -0.9904 | |
| 172 | I | A | 0.0000 | |
| 173 | I | A | -1.2291 | |
| 174 | H | A | 0.0000 | |
| 175 | E | A | -2.1037 | |
| 176 | K | A | -1.2194 | |
| 177 | Y | A | -1.7158 | |
| 178 | K | A | -2.7169 | |
| 179 | T | A | -2.2192 | |
| 180 | N | A | -2.7381 | |
| 181 | K | A | -2.6440 | |
| 182 | K | A | -2.1098 | |
| 183 | V | A | 0.1333 | |
| 184 | V | A | -0.8604 | |
| 185 | D | A | -1.5252 | |
| 186 | P | A | -0.7641 | |
| 187 | I | A | -0.2233 | |
| 188 | V | A | 0.0000 | |
| 189 | S | A | -0.9801 | |
| 190 | N | A | -1.5212 | |
| 191 | F | A | -0.6032 | |
| 192 | L | A | -1.0821 | |
| 193 | Q | A | -1.8560 | |
| 194 | S | A | -1.2480 | |
| 195 | F | A | -1.3367 | |
| 196 | E | A | -2.6648 | |
| 197 | T | A | -1.8550 | |
| 198 | A | A | -2.0232 | |
| 199 | I | A | -2.7593 | |
| 200 | E | A | -3.1364 | |
| 201 | H | A | -2.7642 | |
| 202 | N | A | -2.9849 | |
| 203 | K | A | -3.5158 | |
| 204 | E | A | -3.0705 | |
| 205 | V | A | -2.5332 | |
| 206 | E | A | -2.7337 | |
| 207 | P | A | -1.5182 | |
| 208 | L | A | -0.8598 | |
| 209 | L | A | -0.9067 | |
| 210 | G | A | -1.4852 | |
| 211 | R | A | -2.1386 | |
| 212 | A | A | -1.2922 | |
| 213 | Q | A | -1.7731 | |
| 214 | E | A | -1.4103 | |
| 215 | N | A | -1.2310 | |
| 216 | L | A | 0.0000 | |
| 217 | N | A | -0.2210 | |
| 218 | P | A | 0.0000 | |
| 219 | L | A | 0.7368 | |
| 220 | V | A | 0.6954 | |
| 221 | V | A | 0.0000 | |
| 222 | L | A | -0.3263 | |
| 223 | N | A | -0.9016 | |
| 224 | L | A | 0.0000 | |
| 225 | F | A | 0.0000 | |
| 226 | K | A | -2.7171 | |
| 227 | R | A | -2.4733 | |
| 228 | I | A | 0.0000 | |
| 229 | P | A | -1.4122 | |
| 230 | A | A | -1.4805 | |
| 231 | E | A | -1.7981 | |
| 232 | D | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | P | A | -0.5585 | |
| 235 | L | A | 0.0000 | |
| 236 | L | A | 0.0000 | |
| 237 | L | A | 0.0000 | |
| 238 | M | A | 0.0000 | |
| 239 | N | A | -1.2562 | |
| 240 | P | A | -1.6868 | |
| 241 | E | A | -2.2881 | |
| 242 | A | A | 0.0000 | |
| 243 | G | A | 0.0000 | |
| 244 | K | A | -1.7319 | |
| 245 | P | A | 0.0000 | |
| 246 | S | A | -1.1844 | |
| 247 | D | A | -1.1374 | |
| 248 | L | A | 0.0000 | |
| 249 | I | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | T | A | -0.7096 | |
| 252 | R | A | -1.3075 | |
| 253 | L | A | 0.0000 | |
| 254 | L | A | -0.3007 | |
| 255 | V | A | 0.0000 | |
| 256 | P | A | 0.0000 | |
| 257 | P | A | 0.0000 | |
| 258 | L | A | 0.0000 | |
| 259 | C | A | 1.3850 | |
| 260 | I | A | 1.9515 | |
| 261 | R | A | 0.0000 | |
| 262 | P | A | 0.8175 | |
| 263 | S | A | 0.3112 | |
| 264 | V | A | 0.7754 | |
| 265 | V | A | 1.1070 | |
| 266 | S | A | -0.3254 | |
| 267 | D | A | -1.4303 | |
| 268 | L | A | -0.3808 | |
| 269 | K | A | -1.8277 | |
| 270 | S | A | -1.2538 | |
| 271 | G | A | -1.2255 | |
| 272 | T | A | -1.0451 | |
| 273 | N | A | -1.2211 | |
| 274 | E | A | -0.5523 | |
| 275 | D | A | 0.0212 | |
| 276 | D | A | -0.5351 | |
| 277 | L | A | 0.0000 | |
| 278 | T | A | 0.0000 | |
| 279 | M | A | -0.3615 | |
| 280 | K | A | 0.0000 | |
| 281 | L | A | 0.0000 | |
| 282 | T | A | -0.2882 | |
| 283 | E | A | -0.5151 | |
| 284 | I | A | 0.0000 | |
| 285 | I | A | 0.0000 | |
| 286 | F | A | 0.6270 | |
| 287 | L | A | 0.0000 | |
| 288 | N | A | -0.7392 | |
| 289 | D | A | -0.9584 | |
| 290 | V | A | -0.8599 | |
| 291 | I | A | 0.0000 | |
| 292 | K | A | -2.1840 | |
| 293 | K | A | -2.1986 | |
| 294 | H | A | -2.0008 | |
| 295 | R | A | -2.2283 | |
| 296 | I | A | 0.0663 | |
| 297 | S | A | -0.8854 | |
| 298 | G | A | -1.0996 | |
| 299 | A | A | -1.6872 | |
| 300 | K | A | -2.4356 | |
| 301 | T | A | -1.8517 | |
| 302 | Q | A | -1.8891 | |
| 303 | M | A | -1.6326 | |
| 304 | I | A | 0.0000 | |
| 305 | M | A | -0.9074 | |
| 306 | E | A | -1.4979 | |
| 307 | D | A | -0.9660 | |
| 308 | W | A | 0.0000 | |
| 309 | D | A | -0.7167 | |
| 310 | F | A | -0.3232 | |
| 311 | L | A | 0.0000 | |
| 312 | Q | A | 0.0000 | |
| 313 | L | A | 0.0000 | |
| 314 | Q | A | -0.2851 | |
| 315 | C | A | 0.0000 | |
| 316 | A | A | 0.0000 | |
| 317 | L | A | 0.0000 | |
| 318 | Y | A | -0.1256 | |
| 319 | I | A | 0.0000 | |
| 320 | N | A | -0.4605 | |
| 321 | S | A | -0.7449 | |
| 322 | E | A | -1.0899 | |
| 323 | L | A | -0.4589 | |
| 324 | S | A | -0.5009 | |
| 325 | G | A | -0.1740 | |
| 326 | I | A | 0.1359 | |
| 327 | P | A | 0.2490 | |
| 328 | L | A | 0.6984 | |
| 329 | N | A | -0.4801 | |
| 330 | M | A | -0.3647 | |
| 331 | A | A | -0.3758 | |
| 332 | P | A | -1.1139 | |
| 333 | K | A | -2.0659 | |
| 334 | K | A | -1.8204 | |
| 335 | W | A | -0.5410 | |
| 336 | T | A | 0.0000 | |
| 337 | R | A | -1.2164 | |
| 338 | G | A | 0.0000 | |
| 339 | F | A | 0.1984 | |
| 340 | V | A | -0.5866 | |
| 341 | Q | A | 0.0000 | |
| 342 | R | A | -1.6303 | |
| 343 | L | A | 0.0000 | |
| 344 | K | A | -2.4077 | |
| 345 | G | A | -2.5174 | |
| 346 | K | A | -3.5863 | |
| 347 | Q | A | -3.3870 | |
| 348 | G | A | 0.0000 | |
| 349 | R | A | -3.1408 | |
| 350 | F | A | 0.0000 | |
| 351 | R | A | -3.7387 | |
| 352 | G | A | -3.6611 | |
| 353 | N | A | -3.4328 | |
| 354 | L | A | -1.2856 | |
| 355 | S | A | -1.5618 | |
| 356 | G | A | -1.7664 | |
| 357 | K | A | -2.8483 | |
| 358 | R | A | -2.4013 | |
| 359 | V | A | -0.4150 | |
| 360 | D | A | -1.2181 | |
| 361 | F | A | 0.1546 | |
| 362 | S | A | -0.4615 | |
| 363 | G | A | -0.8363 | |
| 364 | R | A | -2.4379 | |
| 365 | T | A | -1.7223 | |
| 366 | V | A | -1.3044 | |
| 367 | I | A | 0.0000 | |
| 368 | S | A | -1.0618 | |
| 369 | P | A | -0.8284 | |
| 370 | D | A | -1.0585 | |
| 371 | P | A | -1.2013 | |
| 372 | N | A | -1.6204 | |
| 373 | L | A | 0.0000 | |
| 374 | R | A | -0.9131 | |
| 375 | I | A | 0.0000 | |
| 376 | D | A | 0.0000 | |
| 377 | E | A | 0.0000 | |
| 378 | V | A | 0.0000 | |
| 379 | A | A | 0.0000 | |
| 380 | V | A | 0.0000 | |
| 381 | P | A | 0.0000 | |
| 382 | V | A | -0.5622 | |
| 383 | H | A | -0.6665 | |
| 384 | V | A | -0.0906 | |
| 385 | A | A | 0.0000 | |
| 386 | K | A | 0.3308 | |
| 387 | I | A | 1.7722 | |
| 388 | L | A | 0.0000 | |
| 389 | T | A | 0.0000 | |
| 390 | F | A | 0.0000 | |
| 391 | P | A | -0.7191 | |
| 392 | E | A | -1.3024 | |
| 393 | K | A | -2.0797 | |
| 394 | V | A | 0.0000 | |
| 395 | N | A | -1.6132 | |
| 396 | K | A | -2.0712 | |
| 397 | A | A | -0.9951 | |
| 398 | N | A | 0.0000 | |
| 399 | I | A | -1.4422 | |
| 400 | N | A | -1.9500 | |
| 401 | F | A | -0.7486 | |
| 402 | L | A | 0.0000 | |
| 403 | R | A | -2.9040 | |
| 404 | K | A | -2.7270 | |
| 405 | L | A | 0.0000 | |
| 406 | V | A | 0.0000 | |
| 407 | Q | A | -2.3635 | |
| 408 | N | A | -1.5827 | |
| 409 | G | A | 0.0000 | |
| 410 | P | A | -0.4293 | |
| 411 | E | A | -1.3176 | |
| 412 | V | A | -0.4215 | |
| 413 | H | A | -0.2490 | |
| 414 | P | A | -0.7461 | |
| 415 | G | A | 0.0000 | |
| 416 | A | A | 0.0000 | |
| 417 | N | A | -0.1696 | |
| 418 | F | A | -0.2733 | |
| 419 | I | A | 0.0000 | |
| 420 | Q | A | -1.9178 | |
| 421 | Q | A | -2.6955 | |
| 422 | R | A | -2.4538 | |
| 423 | H | A | -2.0350 | |
| 424 | T | A | -1.7056 | |
| 425 | Q | A | -1.6581 | |
| 426 | M | A | -0.8961 | |
| 427 | K | A | -1.9930 | |
| 428 | R | A | -1.8663 | |
| 429 | F | A | -0.1519 | |
| 430 | L | A | 0.0000 | |
| 431 | K | A | -0.8676 | |
| 432 | Y | A | 0.1842 | |
| 433 | G | A | -1.2606 | |
| 434 | N | A | -2.4288 | |
| 435 | R | A | -2.7964 | |
| 436 | E | A | -3.5218 | |
| 437 | K | A | -3.8182 | |
| 438 | M | A | 0.0000 | |
| 439 | A | A | 0.0000 | |
| 440 | Q | A | -3.6392 | |
| 441 | E | A | -3.3466 | |
| 442 | L | A | 0.0000 | |
| 443 | K | A | -1.7706 | |
| 444 | Y | A | -0.5212 | |
| 445 | G | A | -1.2055 | |
| 446 | D | A | 0.0000 | |
| 447 | I | A | -1.1582 | |
| 448 | V | A | 0.0000 | |
| 449 | E | A | 0.0000 | |
| 450 | R | A | 0.0000 | |
| 451 | H | A | 0.0000 | |
| 452 | L | A | 0.0000 | |
| 453 | I | A | -0.8348 | |
| 454 | D | A | -2.1794 | |
| 455 | G | A | -1.2972 | |
| 456 | D | A | 0.0000 | |
| 457 | V | A | 0.0000 | |
| 458 | V | A | 0.0000 | |
| 459 | L | A | 0.3124 | |
| 460 | F | A | 0.0000 | |
| 461 | N | A | -0.9967 | |
| 462 | R | A | -1.7160 | |
| 463 | Q | A | -2.0047 | |
| 464 | P | A | -1.0764 | |
| 465 | S | A | -0.8773 | |
| 466 | L | A | -0.4357 | |
| 467 | H | A | -0.4720 | |
| 468 | K | A | -0.7317 | |
| 469 | L | A | 0.0000 | |
| 470 | S | A | 0.0000 | |
| 471 | I | A | 0.0086 | |
| 472 | M | A | 0.0000 | |
| 473 | A | A | 0.0000 | |
| 474 | H | A | 0.0000 | |
| 475 | L | A | -0.2744 | |
| 476 | A | A | 0.0000 | |
| 477 | R | A | -1.7188 | |
| 478 | V | A | -1.3398 | |
| 479 | K | A | -1.8783 | |
| 480 | P | A | -1.4798 | |
| 481 | H | A | -2.2946 | |
| 482 | R | A | -2.4935 | |
| 483 | T | A | -1.7925 | |
| 484 | F | A | 0.0000 | |
| 485 | R | A | -1.1982 | |
| 486 | F | A | 0.0000 | |
| 487 | N | A | 0.0000 | |
| 488 | E | A | -0.8396 | |
| 489 | C | A | 0.0000 | |
| 490 | V | A | 0.0000 | |
| 491 | C | A | -0.6972 | |
| 492 | T | A | -0.6238 | |
| 493 | P | A | 0.0000 | |
| 494 | Y | A | 0.0000 | |
| 495 | N | A | -1.6700 | |
| 496 | A | A | -2.0733 | |
| 497 | D | A | -2.8747 | |
| 498 | F | A | -2.1926 | |
| 499 | D | A | -2.7018 | |
| 500 | G | A | -1.8966 | |
| 501 | D | A | -2.1577 | |
| 502 | E | A | -2.7650 | |
| 503 | M | A | 0.0000 | |
| 504 | N | A | -1.5848 | |
| 505 | L | A | 0.0000 | |
| 506 | H | A | -0.4687 | |
| 507 | L | A | 0.0000 | |
| 508 | P | A | -1.0750 | |
| 509 | Q | A | -1.2605 | |
| 510 | T | A | -1.9427 | |
| 511 | E | A | -3.1951 | |
| 512 | E | A | -3.0219 | |
| 513 | A | A | -1.7117 | |
| 514 | K | A | -1.1879 | |
| 515 | A | A | -0.7552 | |
| 516 | E | A | -0.5406 | |
| 517 | A | A | 0.0000 | |
| 518 | L | A | 1.3444 | |
| 519 | V | A | 2.2650 | |
| 520 | L | A | 1.9540 | |
| 521 | M | A | 1.2208 | |
| 522 | G | A | 0.0000 | |
| 523 | T | A | 0.0000 | |
| 524 | K | A | -0.8198 | |
| 525 | A | A | 0.1117 | |
| 526 | N | A | 0.0000 | |
| 527 | L | A | 0.0000 | |
| 528 | V | A | 0.0000 | |
| 529 | T | A | 0.0000 | |
| 530 | P | A | -0.3768 | |
| 531 | R | A | -0.6257 | |
| 532 | N | A | -1.0751 | |
| 533 | G | A | 0.0000 | |
| 534 | E | A | -0.7600 | |
| 535 | P | A | 0.0000 | |
| 536 | L | A | -0.0632 | |
| 537 | I | A | 0.0000 | |
| 538 | A | A | 0.0000 | |
| 539 | A | A | 0.0000 | |
| 540 | I | A | -0.5964 | |
| 541 | Q | A | -1.2719 | |
| 542 | D | A | -0.9459 | |
| 543 | F | A | 0.0000 | |
| 544 | L | A | 0.0000 | |
| 545 | T | A | 0.0000 | |
| 546 | G | A | 0.0000 | |
| 547 | A | A | 0.0000 | |
| 548 | Y | A | 0.0652 | |
| 549 | L | A | 0.0000 | |
| 550 | L | A | 0.0000 | |
| 551 | T | A | 0.0000 | |
| 552 | L | A | -1.2113 | |
| 553 | K | A | -2.4636 | |
| 554 | D | A | -2.2216 | |
| 555 | T | A | -0.8246 | |
| 556 | F | A | -0.1523 | |
| 557 | F | A | 0.0000 | |
| 558 | D | A | -2.3792 | |
| 559 | R | A | -2.8968 | |
| 560 | A | A | -1.9193 | |
| 561 | K | A | -2.1090 | |
| 562 | A | A | 0.0000 | |
| 563 | C | A | -1.2243 | |
| 564 | Q | A | -1.6564 | |
| 565 | I | A | 0.0000 | |
| 566 | I | A | 0.0000 | |
| 567 | A | A | -0.5276 | |
| 568 | S | A | -0.3001 | |
| 569 | I | A | 0.0000 | |
| 570 | L | A | -1.1340 | |
| 571 | V | A | -1.2463 | |
| 572 | G | A | -2.0334 | |
| 573 | K | A | -2.5949 | |
| 574 | D | A | 0.0000 | |
| 575 | E | A | -3.1052 | |
| 576 | K | A | -3.0735 | |
| 577 | I | A | -2.2014 | |
| 578 | K | A | -2.3455 | |
| 579 | V | A | -1.0335 | |
| 580 | R | A | -0.7318 | |
| 581 | L | A | -0.4494 | |
| 582 | P | A | 0.0000 | |
| 583 | P | A | -0.2147 | |
| 584 | P | A | 0.0943 | |
| 585 | T | A | 0.6169 | |
| 586 | I | A | 1.0390 | |
| 587 | L | A | 1.1901 | |
| 588 | K | A | -0.6037 | |
| 589 | P | A | -0.1279 | |
| 590 | V | A | 0.6060 | |
| 591 | T | A | 0.1256 | |
| 592 | L | A | -0.1316 | |
| 593 | W | A | 0.0000 | |
| 594 | T | A | -0.4131 | |
| 595 | G | A | 0.0000 | |
| 596 | K | A | 0.0000 | |
| 597 | Q | A | -0.0104 | |
| 598 | I | A | 0.0000 | |
| 599 | F | A | 0.0000 | |
| 600 | S | A | 0.0000 | |
| 601 | V | A | 0.0000 | |
| 602 | I | A | 0.0000 | |
| 603 | L | A | 0.0000 | |
| 604 | R | A | -1.1255 | |
| 605 | P | A | 0.0000 | |
| 606 | S | A | -1.6529 | |
| 607 | D | A | -2.4102 | |
| 608 | D | A | -2.6707 | |
| 609 | N | A | -1.6857 | |
| 610 | P | A | -1.1193 | |
| 611 | V | A | 0.0000 | |
| 612 | R | A | -0.6904 | |
| 613 | A | A | 0.0000 | |
| 614 | N | A | 0.0000 | |
| 615 | L | A | 0.0000 | |
| 616 | R | A | -2.0009 | |
| 617 | T | A | -1.9937 | |
| 618 | K | A | -2.6721 | |
| 619 | G | A | 0.0000 | |
| 620 | K | A | -1.7525 | |
| 621 | Q | A | -1.2272 | |
| 622 | Y | A | -1.7802 | |
| 623 | C | A | -1.2187 | |
| 624 | G | A | -1.7109 | |
| 625 | K | A | -2.2976 | |
| 626 | G | A | 0.0000 | |
| 627 | E | A | -2.9837 | |
| 628 | D | A | -2.3226 | |
| 629 | L | A | -0.2885 | |
| 630 | C | A | -1.1696 | |
| 631 | A | A | -0.7890 | |
| 632 | N | A | -1.2021 | |
| 633 | D | A | -1.3562 | |
| 634 | S | A | 0.0000 | |
| 635 | Y | A | -1.8117 | |
| 636 | V | A | 0.0000 | |
| 637 | T | A | 0.0000 | |
| 638 | I | A | 0.0000 | |
| 639 | Q | A | -0.6963 | |
| 640 | N | A | -0.6569 | |
| 641 | S | A | 0.0000 | |
| 642 | E | A | -0.4996 | |
| 643 | L | A | 0.0000 | |
| 644 | M | A | 0.4955 | |
| 645 | S | A | -0.1620 | |
| 646 | G | A | 0.0000 | |
| 647 | S | A | 0.0000 | |
| 648 | M | A | 0.0000 | |
| 649 | D | A | 0.0000 | |
| 650 | K | A | -1.2369 | |
| 651 | G | A | -1.4399 | |
| 652 | T | A | 0.0000 | |
| 653 | L | A | 0.0000 | |
| 654 | G | A | 0.0000 | |
| 655 | S | A | -0.4578 | |
| 656 | G | A | -0.8999 | |
| 657 | S | A | -0.9001 | |
| 658 | K | A | -1.1349 | |
| 659 | N | A | -1.2707 | |
| 660 | N | A | 0.0000 | |
| 661 | I | A | 0.0000 | |
| 662 | F | A | 0.0000 | |
| 663 | Y | A | 0.0000 | |
| 664 | I | A | 0.0000 | |
| 665 | L | A | 0.0000 | |
| 666 | L | A | -0.7610 | |
| 667 | R | A | -0.6630 | |
| 668 | D | A | -0.6214 | |
| 669 | W | A | -0.5877 | |
| 670 | G | A | -1.0748 | |
| 671 | Q | A | -1.8289 | |
| 672 | N | A | -1.9867 | |
| 673 | E | A | -1.4085 | |
| 674 | A | A | 0.0000 | |
| 675 | A | A | 0.0000 | |
| 676 | D | A | -0.9143 | |
| 677 | A | A | 0.0000 | |
| 678 | M | A | 0.0000 | |
| 679 | S | A | -0.6174 | |
| 680 | R | A | 0.0000 | |
| 681 | L | A | 0.0000 | |
| 682 | A | A | 0.0000 | |
| 683 | R | A | -0.8287 | |
| 684 | L | A | 0.0000 | |
| 685 | A | A | 0.0000 | |
| 686 | P | A | -0.5709 | |
| 687 | V | A | -0.5752 | |
| 688 | Y | A | 0.0000 | |
| 689 | L | A | -0.8605 | |
| 690 | S | A | -1.1662 | |
| 691 | N | A | -2.0735 | |
| 692 | R | A | -2.1281 | |
| 693 | G | A | -1.2393 | |
| 694 | F | A | -0.0495 | |
| 695 | S | A | 0.6358 | |
| 696 | I | A | 1.8080 | |
| 697 | G | A | 1.2775 | |
| 698 | I | A | 2.0398 | |
| 699 | G | A | 0.4394 | |
| 700 | D | A | 0.3747 | |
| 701 | V | A | 1.0554 | |
| 702 | T | A | 0.3526 | |
| 703 | P | A | -0.1731 | |
| 704 | G | A | -1.6058 | |
| 705 | Q | A | -1.9236 | |
| 706 | G | A | -1.9058 | |
| 707 | L | A | 0.0000 | |
| 708 | L | A | -0.9448 | |
| 709 | K | A | -1.9286 | |
| 710 | A | A | -1.3683 | |
| 711 | K | A | 0.0000 | |
| 712 | Y | A | -0.1696 | |
| 713 | E | A | -1.7158 | |
| 714 | L | A | -1.2258 | |
| 715 | L | A | -0.6472 | |
| 716 | N | A | -1.7981 | |
| 717 | A | A | -1.4351 | |
| 718 | G | A | 0.0000 | |
| 719 | Y | A | -1.9551 | |
| 720 | K | A | -3.3185 | |
| 721 | K | A | -3.4552 | |
| 722 | C | A | 0.0000 | |
| 723 | D | A | -3.4636 | |
| 724 | E | A | -3.9263 | |
| 725 | Y | A | -2.7586 | |
| 726 | I | A | 0.0000 | |
| 727 | E | A | -3.5896 | |
| 728 | A | A | -2.7203 | |
| 729 | L | A | -2.9030 | |
| 730 | N | A | -2.7189 | |
| 731 | T | A | -1.6703 | |
| 732 | G | A | -1.9261 | |
| 733 | K | A | -2.7218 | |
| 734 | L | A | 0.0000 | |
| 735 | Q | A | -2.3737 | |
| 736 | Q | A | -3.0177 | |
| 737 | Q | A | -2.2370 | |
| 738 | P | A | -1.1052 | |
| 739 | G | A | -0.9536 | |
| 740 | C | A | -1.2783 | |
| 741 | T | A | -1.7470 | |
| 742 | A | A | -2.7056 | |
| 743 | E | A | -3.1588 | |
| 744 | E | A | -3.0581 | |
| 745 | T | A | 0.0000 | |
| 746 | L | A | 0.0000 | |
| 747 | E | A | -1.4050 | |
| 748 | A | A | -1.2502 | |
| 749 | L | A | -1.3015 | |
| 750 | I | A | 0.0000 | |
| 751 | L | A | -0.4473 | |
| 752 | K | A | -1.4552 | |
| 753 | E | A | -1.2294 | |
| 754 | L | A | 0.0000 | |
| 755 | S | A | -1.0487 | |
| 756 | V | A | -0.7309 | |
| 757 | I | A | 0.0000 | |
| 758 | R | A | -1.3423 | |
| 759 | D | A | -1.7402 | |
| 760 | H | A | -1.6096 | |
| 761 | A | A | 0.0000 | |
| 762 | G | A | 0.0000 | |
| 763 | S | A | -1.0327 | |
| 764 | A | A | -1.6243 | |
| 765 | C | A | 0.0000 | |
| 766 | L | A | -0.7282 | |
| 767 | R | A | -2.6332 | |
| 768 | E | A | -2.5852 | |
| 769 | L | A | -2.0840 | |
| 770 | D | A | -3.0838 | |
| 771 | K | A | -2.8497 | |
| 772 | S | A | -1.3297 | |
| 773 | N | A | 0.0000 | |
| 774 | S | A | 0.0038 | |
| 775 | P | A | -0.0042 | |
| 776 | L | A | -0.3740 | |
| 777 | T | A | 0.0000 | |
| 778 | M | A | 0.0000 | |
| 779 | A | A | 0.0000 | |
| 780 | L | A | -0.3376 | |
| 781 | C | A | 0.0000 | |
| 782 | G | A | -1.2096 | |
| 783 | S | A | 0.0000 | |
| 784 | K | A | -2.3056 | |
| 785 | G | A | -1.1604 | |
| 786 | S | A | -0.0449 | |
| 787 | F | A | 1.2787 | |
| 788 | I | A | 1.3976 | |
| 789 | N | A | -0.2675 | |
| 790 | I | A | 0.0000 | |
| 791 | S | A | 0.0000 | |
| 792 | Q | A | 0.1363 | |
| 793 | M | A | 0.6700 | |
| 794 | I | A | 0.0000 | |
| 795 | A | A | 0.0000 | |
| 796 | C | A | 0.0000 | |
| 797 | V | A | 0.0000 | |
| 798 | G | A | 0.0000 | |
| 799 | Q | A | -0.4679 | |
| 800 | Q | A | -0.3737 | |
| 801 | A | A | -0.3503 | |
| 802 | I | A | -0.4682 | |
| 803 | S | A | -0.6363 | |
| 804 | G | A | -0.7591 | |
| 805 | S | A | -0.4322 | |
| 806 | R | A | 0.0000 | |
| 807 | V | A | 0.0000 | |
| 808 | P | A | -1.2520 | |
| 809 | D | A | -2.8044 | |
| 810 | G | A | -1.3884 | |
| 811 | F | A | -0.9308 | |
| 812 | E | A | -2.5566 | |
| 813 | N | A | -3.1244 | |
| 814 | R | A | -3.2094 | |
| 815 | S | A | 0.0000 | |
| 816 | L | A | 0.0000 | |
| 817 | P | A | -1.3838 | |
| 818 | H | A | -1.6393 | |
| 819 | F | A | -1.9686 | |
| 820 | E | A | -3.2345 | |
| 821 | K | A | -3.9415 | |
| 822 | H | A | -3.1830 | |
| 823 | S | A | -1.8219 | |
| 824 | K | A | -1.6183 | |
| 825 | L | A | -0.3358 | |
| 826 | P | A | 0.0000 | |
| 827 | A | A | 0.0308 | |
| 828 | A | A | 0.0000 | |
| 829 | K | A | -0.7701 | |
| 830 | G | A | 0.0000 | |
| 831 | F | A | 0.0000 | |
| 832 | V | A | 0.0000 | |
| 833 | A | A | -0.0616 | |
| 834 | N | A | -0.1363 | |
| 835 | S | A | 0.0000 | |
| 836 | F | A | 1.1014 | |
| 837 | Y | A | 1.1856 | |
| 838 | S | A | 0.2270 | |
| 839 | G | A | 0.3423 | |
| 840 | L | A | 0.0000 | |
| 841 | T | A | 0.2653 | |
| 842 | P | A | 0.4219 | |
| 843 | T | A | 0.3572 | |
| 844 | E | A | 0.0000 | |
| 845 | F | A | 1.7221 | |
| 846 | F | A | 1.2914 | |
| 847 | F | A | 0.0000 | |
| 848 | H | A | 0.1128 | |
| 849 | T | A | -0.1444 | |
| 850 | M | A | -0.1425 | |
| 851 | A | A | -0.5164 | |
| 852 | G | A | -0.8170 | |
| 853 | R | A | -1.5002 | |
| 854 | E | A | -0.8728 | |
| 855 | G | A | -0.2596 | |
| 856 | L | A | 0.9778 | |
| 857 | V | A | 0.9562 | |
| 858 | D | A | 0.3058 | |
| 859 | T | A | 0.3211 | |
| 860 | A | A | 0.7717 | |
| 861 | V | A | 0.6820 | |
| 862 | K | A | -0.2102 | |
| 863 | T | A | -0.0493 | |
| 864 | A | A | 0.1031 | |
| 865 | E | A | -0.3385 | |
| 866 | T | A | 0.0000 | |
| 867 | G | A | -0.2545 | |
| 868 | Y | A | 0.1239 | |
| 869 | M | A | 0.0000 | |
| 870 | Q | A | -1.1567 | |
| 871 | R | A | -2.0638 | |
| 872 | R | A | -2.0551 | |
| 873 | L | A | 0.0000 | |
| 874 | V | A | -1.1567 | |
| 875 | K | A | -1.8551 | |
| 876 | S | A | 0.0000 | |
| 877 | L | A | 0.0000 | |
| 878 | E | A | -0.7091 | |
| 879 | D | A | 0.0000 | |
| 880 | L | A | 0.0000 | |
| 881 | C | A | 0.0000 | |
| 882 | S | A | 0.0000 | |
| 883 | Q | A | 0.1593 | |
| 884 | Y | A | 0.5986 | |
| 885 | D | A | -0.4408 | |
| 886 | L | A | -0.0263 | |
| 887 | T | A | 0.0000 | |
| 888 | V | A | 0.0000 | |
| 889 | R | A | -0.5163 | |
| 890 | S | A | -0.7636 | |
| 891 | S | A | -0.6723 | |
| 892 | T | A | -0.7818 | |
| 893 | G | A | -0.9244 | |
| 894 | D | A | -1.3109 | |
| 895 | I | A | -0.0374 | |
| 896 | I | A | 0.0000 | |
| 897 | Q | A | 0.0000 | |
| 898 | F | A | 1.9136 | |
| 899 | I | A | 1.0018 | |
| 900 | Y | A | 0.0000 | |
| 901 | G | A | 0.0000 | |
| 902 | G | A | -0.0771 | |
| 903 | D | A | -0.4879 | |
| 904 | G | A | 0.0000 | |
| 905 | L | A | 0.0000 | |
| 906 | D | A | -1.4107 | |
| 907 | P | A | 0.0000 | |
| 908 | A | A | -0.4592 | |
| 909 | A | A | -0.9949 | |
| 910 | M | A | 0.0000 | |
| 911 | E | A | 0.0000 | |
| 912 | G | A | -2.3653 | |
| 913 | K | A | -3.1941 | |
| 914 | D | A | -3.4258 | |
| 915 | E | A | -3.1780 | |
| 916 | P | A | 0.0000 | |
| 917 | L | A | 0.0000 | |
| 918 | E | A | -1.8842 | |
| 919 | F | A | 0.0000 | |
| 920 | K | A | -2.0913 | |
| 921 | R | A | -1.6413 | |
| 922 | V | A | 0.0000 | |
| 923 | L | A | 0.0000 | |
| 924 | D | A | -1.2145 | |
| 925 | N | A | 0.0000 | |
| 926 | I | A | 0.0000 | |
| 927 | K | A | -0.5643 | |
| 928 | A | A | -0.2836 | |
| 929 | V | A | 0.1017 | |
| 930 | F | A | 0.3911 | |
| 931 | P | A | -0.0822 | |
| 932 | C | A | -0.3076 | |
| 933 | P | A | -0.6518 | |
| 934 | S | A | -0.6354 | |
| 935 | E | A | -0.8365 | |
| 936 | P | A | -0.8061 | |
| 937 | A | A | -1.0677 | |
| 938 | L | A | 0.0000 | |
| 939 | S | A | 0.0000 | |
| 940 | K | A | -2.7953 | |
| 941 | N | A | -2.1864 | |
| 942 | E | A | -1.5442 | |
| 943 | L | A | 0.0000 | |
| 944 | I | A | -1.0160 | |
| 945 | L | A | 0.3856 | |
| 946 | T | A | -0.1733 | |
| 947 | T | A | 0.0000 | |
| 948 | E | A | -1.2609 | |
| 949 | S | A | -0.8955 | |
| 950 | I | A | -1.5304 | |
| 951 | M | A | 0.0000 | |
| 952 | K | A | -2.6964 | |
| 953 | K | A | -2.7704 | |
| 954 | S | A | -1.6299 | |
| 955 | E | A | -2.2460 | |
| 956 | F | A | 0.0000 | |
| 957 | L | A | 0.1050 | |
| 958 | C | A | 0.2413 | |
| 959 | C | A | 0.0000 | |
| 960 | Q | A | -1.4468 | |
| 961 | D | A | -2.4048 | |
| 962 | S | A | -2.1222 | |
| 963 | F | A | 0.0000 | |
| 964 | L | A | -1.9995 | |
| 965 | Q | A | -2.9907 | |
| 966 | E | A | -3.2882 | |
| 967 | I | A | 0.0000 | |
| 968 | K | A | -2.6906 | |
| 969 | K | A | -3.2634 | |
| 970 | F | A | -2.2201 | |
| 971 | I | A | 0.0000 | |
| 972 | K | A | -3.1808 | |
| 973 | G | A | -2.5183 | |
| 974 | V | A | -2.2763 | |
| 975 | S | A | 0.0000 | |
| 976 | E | A | -3.9847 | |
| 977 | K | A | -3.7021 | |
| 978 | I | A | 0.0000 | |
| 979 | K | A | -3.7967 | |
| 980 | K | A | -4.1428 | |
| 981 | T | A | -2.6399 | |
| 982 | R | A | 0.0000 | |
| 983 | D | A | -3.5419 | |
| 984 | K | A | -2.9188 | |
| 985 | Y | A | -1.1358 | |
| 986 | G | A | -1.6560 | |
| 987 | I | A | 0.0000 | |
| 988 | N | A | -2.3764 | |
| 989 | D | A | -2.9158 | |
| 990 | N | A | -2.2372 | |
| 991 | G | A | -2.0148 | |
| 992 | T | A | -1.7162 | |
| 993 | T | A | -1.8861 | |
| 994 | E | A | -2.2939 | |
| 995 | P | A | -1.2567 | |
| 996 | R | A | -1.7661 | |
| 997 | V | A | 0.4726 | |
| 998 | L | A | 0.0621 | |
| 999 | Y | A | 0.0000 | |
| 1000 | Q | A | -0.5622 | |
| 1001 | L | A | 0.5893 | |
| 1002 | D | A | -0.5396 | |
| 1003 | R | A | -0.4586 | |
| 1004 | I | A | 0.0000 | |
| 1005 | T | A | 0.0000 | |
| 1006 | P | A | -0.6625 | |
| 1007 | T | A | -0.5790 | |
| 1008 | Q | A | 0.0000 | |
| 1009 | V | A | 0.0000 | |
| 1010 | E | A | -1.3334 | |
| 1011 | K | A | -1.1733 | |
| 1012 | F | A | 0.0000 | |
| 1013 | L | A | 0.0000 | |
| 1014 | E | A | -1.6305 | |
| 1015 | T | A | -1.1549 | |
| 1016 | C | A | 0.0000 | |
| 1017 | R | A | -1.2655 | |
| 1018 | D | A | -1.9523 | |
| 1019 | K | A | -1.5006 | |
| 1020 | Y | A | 0.0000 | |
| 1021 | M | A | -1.0931 | |
| 1022 | R | A | -2.4010 | |
| 1023 | A | A | 0.0000 | |
| 1024 | Q | A | -1.3732 | |
| 1025 | M | A | 0.0000 | |
| 1026 | E | A | -2.1506 | |
| 1027 | P | A | -0.5201 | |
| 1028 | G | A | 0.0000 | |
| 1029 | S | A | -0.6046 | |
| 1030 | A | A | -0.3881 | |
| 1031 | V | A | 0.0000 | |
| 1032 | G | A | 0.0000 | |
| 1033 | A | A | -0.3179 | |
| 1034 | L | A | -0.0758 | |
| 1035 | C | A | 0.0000 | |
| 1036 | A | A | 0.0000 | |
| 1037 | Q | A | -0.6464 | |
| 1038 | S | A | 0.0000 | |
| 1039 | I | A | 0.0000 | |
| 1040 | G | A | 0.0000 | |
| 1041 | E | A | -0.5161 | |
| 1042 | P | A | 0.0000 | |
| 1043 | G | A | 0.0000 | |
| 1044 | T | A | -0.6524 | |
| 1045 | Q | A | -0.9984 | |
| 1046 | M | A | 0.0000 | |
| 1047 | T | A | -0.6620 | |
| 1048 | L | A | -0.2420 | |
| 1049 | K | A | -1.3204 | |
| 1050 | T | A | -0.8103 | |
| 1051 | F | A | -0.1776 | |
| 1052 | H | A | -0.8320 | |
| 1053 | F | A | -0.1876 | |
| 1054 | A | A | -0.4181 | |
| 1055 | G | A | -0.3805 | |
| 1056 | V | A | 0.0000 | |
| 1057 | A | A | -0.4276 | |
| 1058 | S | A | -0.6948 | |
| 1059 | M | A | 0.0000 | |
| 1060 | N | A | -1.1175 | |
| 1061 | I | A | -0.3618 | |
| 1062 | T | A | -0.2667 | |
| 1063 | L | A | 0.0000 | |
| 1064 | G | A | 0.0000 | |
| 1065 | V | A | 0.0000 | |
| 1066 | P | A | -0.2599 | |
| 1067 | R | A | 0.0000 | |
| 1068 | I | A | 0.0000 | |
| 1069 | K | A | -0.5824 | |
| 1070 | E | A | -0.7511 | |
| 1071 | I | A | 0.0000 | |
| 1072 | I | A | 0.0000 | |
| 1073 | N | A | -0.7119 | |
| 1074 | A | A | -0.7172 | |
| 1075 | S | A | -0.9546 | |
| 1076 | K | A | -1.6739 | |
| 1077 | A | A | -1.0498 | |
| 1078 | I | A | -0.5418 | |
| 1079 | S | A | -0.2282 | |
| 1080 | T | A | -0.3445 | |
| 1081 | P | A | -0.7156 | |
| 1082 | I | A | 0.0000 | |
| 1083 | I | A | 0.0000 | |
| 1084 | T | A | -0.5790 | |
| 1085 | A | A | 0.0000 | |
| 1086 | Q | A | -1.9628 | |
| 1087 | L | A | 0.0000 | |
| 1088 | D | A | -3.6912 | |
| 1089 | K | A | -3.8265 | |
| 1090 | D | A | -3.5919 | |
| 1091 | D | A | -4.3569 | |
| 1092 | D | A | -3.6776 | |
| 1093 | A | A | -2.4026 | |
| 1094 | D | A | -2.6279 | |
| 1095 | Y | A | -2.3461 | |
| 1096 | A | A | 0.0000 | |
| 1097 | R | A | -2.5747 | |
| 1098 | L | A | -1.4954 | |
| 1099 | V | A | 0.0000 | |
| 1100 | K | A | -1.5993 | |
| 1101 | G | A | -1.6628 | |
| 1102 | R | A | -1.6880 | |
| 1103 | I | A | 0.0000 | |
| 1104 | E | A | -1.4283 | |
| 1105 | K | A | -1.3758 | |
| 1106 | T | A | -0.9373 | |
| 1107 | L | A | -0.9080 | |
| 1108 | L | A | 0.0000 | |
| 1109 | G | A | -1.7797 | |
| 1110 | E | A | -1.9677 | |
| 1111 | I | A | 0.0000 | |
| 1112 | S | A | -1.6357 | |
| 1113 | E | A | -2.4436 | |
| 1114 | Y | A | -1.1241 | |
| 1115 | I | A | 0.0000 | |
| 1116 | E | A | -1.3805 | |
| 1117 | E | A | -0.8201 | |
| 1118 | V | A | 0.7839 | |
| 1119 | F | A | 1.5933 | |
| 1120 | L | A | 0.6931 | |
| 1121 | P | A | -0.6854 | |
| 1122 | D | A | -2.1169 | |
| 1123 | D | A | -1.7558 | |
| 1124 | C | A | -0.1474 | |
| 1125 | F | A | 0.1264 | |
| 1126 | I | A | 0.0000 | |
| 1127 | L | A | -0.2787 | |
| 1128 | V | A | 0.0000 | |
| 1129 | K | A | -1.4329 | |
| 1130 | L | A | 0.0000 | |
| 1131 | S | A | -2.1919 | |
| 1132 | L | A | -1.9994 | |
| 1133 | E | A | -2.8577 | |
| 1134 | R | A | -2.7353 | |
| 1135 | I | A | 0.0000 | |
| 1136 | R | A | -2.9102 | |
| 1137 | L | A | -0.6022 | |
| 1138 | L | A | -1.4237 | |
| 1139 | R | A | -2.9496 | |
| 1140 | L | A | 0.0000 | |
| 1141 | E | A | -2.6918 | |
| 1142 | V | A | 0.0000 | |
| 1143 | N | A | -1.9250 | |
| 1144 | A | A | 0.0000 | |
| 1145 | E | A | -1.2836 | |
| 1146 | T | A | -0.8075 | |
| 1147 | V | A | 0.0000 | |
| 1148 | R | A | -0.2038 | |
| 1149 | Y | A | 0.7293 | |
| 1150 | S | A | 0.3329 | |
| 1151 | I | A | 0.0000 | |
| 1152 | C | A | 0.0000 | |
| 1153 | T | A | -0.6221 | |
| 1154 | S | A | -1.2237 | |
| 1155 | K | A | -1.2286 | |
| 1156 | L | A | -1.6321 | |
| 1157 | R | A | -2.9258 | |
| 1158 | V | A | 0.0000 | |
| 1159 | K | A | -2.8039 | |
| 1160 | P | A | -1.4511 | |
| 1161 | G | A | -1.2290 | |
| 1162 | D | A | -1.3512 | |
| 1163 | V | A | 0.0000 | |
| 1164 | A | A | -0.1509 | |
| 1165 | V | A | -0.5881 | |
| 1166 | H | A | -1.2219 | |
| 1167 | G | A | -1.5014 | |
| 1168 | E | A | -2.2800 | |
| 1169 | A | A | -1.6904 | |
| 1170 | V | A | -0.9314 | |
| 1171 | V | A | 0.0000 | |
| 1172 | C | A | 0.0000 | |
| 1173 | V | A | 0.0000 | |
| 1174 | T | A | -0.8187 | |
| 1175 | P | A | -1.1236 | |
| 1176 | R | A | -2.0133 | |
| 1177 | E | A | -2.0307 | |
| 1178 | N | A | -1.8512 | |
| 1179 | S | A | -1.7604 | |
| 1180 | K | A | -2.1519 | |
| 1181 | S | A | -1.2065 | |
| 1182 | S | A | -0.3058 | |
| 1183 | M | A | 0.9268 | |
| 1184 | Y | A | 1.1710 | |
| 1185 | Y | A | 1.3925 | |
| 1186 | V | A | 0.4339 | |
| 1187 | L | A | 0.0000 | |
| 1188 | Q | A | -1.3440 | |
| 1189 | F | A | -0.6426 | |
| 1190 | L | A | 0.0000 | |
| 1191 | K | A | -2.3246 | |
| 1192 | E | A | -2.7678 | |
| 1193 | D | A | -1.9384 | |
| 1194 | L | A | 0.0000 | |
| 1195 | P | A | -1.6923 | |
| 1196 | K | A | -2.2271 | |
| 1197 | V | A | 0.0000 | |
| 1198 | V | A | -0.3547 | |
| 1199 | V | A | 0.0000 | |
| 1200 | Q | A | -0.7763 | |
| 1201 | G | A | -1.1262 | |
| 1202 | I | A | 0.0000 | |
| 1203 | P | A | -1.2218 | |
| 1204 | E | A | -2.2242 | |
| 1205 | V | A | 0.0000 | |
| 1206 | S | A | -1.4015 | |
| 1207 | R | A | -1.2671 | |
| 1208 | A | A | 0.0000 | |
| 1209 | V | A | -0.4634 | |
| 1210 | I | A | -0.3813 | |
| 1211 | H | A | -0.1406 | |
| 1212 | I | A | -0.6551 | |
| 1213 | D | A | -2.3246 | |
| 1214 | E | A | -3.2567 | |
| 1215 | Q | A | -3.2556 | |
| 1216 | S | A | -2.3381 | |
| 1217 | G | A | -2.3737 | |
| 1218 | K | A | -4.0160 | |
| 1219 | E | A | -4.3179 | |
| 1220 | K | A | -3.7235 | |
| 1221 | Y | A | -2.4554 | |
| 1222 | K | A | -1.8899 | |
| 1223 | L | A | 0.0000 | |
| 1224 | L | A | 0.0000 | |
| 1225 | V | A | 0.0000 | |
| 1226 | E | A | -1.2852 | |
| 1227 | G | A | 0.0000 | |
| 1228 | D | A | -2.6200 | |
| 1229 | N | A | -2.0895 | |
| 1230 | L | A | 0.0000 | |
| 1231 | R | A | -2.1966 | |
| 1232 | A | A | -1.4244 | |
| 1233 | V | A | 0.0000 | |
| 1234 | M | A | -1.2350 | |
| 1235 | A | A | -0.8171 | |
| 1236 | T | A | -1.0038 | |
| 1237 | H | A | -1.4168 | |
| 1238 | G | A | -1.7665 | |
| 1239 | V | A | 0.0000 | |
| 1240 | K | A | -2.5822 | |
| 1241 | G | A | -1.7599 | |
| 1242 | T | A | -1.1886 | |
| 1243 | R | A | -2.4046 | |
| 1244 | T | A | 0.0000 | |
| 1245 | T | A | -0.6875 | |
| 1246 | S | A | 0.0000 | |
| 1247 | N | A | -0.2352 | |
| 1248 | N | A | 0.0000 | |
| 1249 | T | A | 0.0000 | |
| 1250 | Y | A | -0.8991 | |
| 1251 | E | A | -1.4909 | |
| 1252 | V | A | 0.0000 | |
| 1253 | E | A | -1.5365 | |
| 1254 | K | A | -1.7495 | |
| 1255 | T | A | -0.9773 | |
| 1256 | L | A | -0.3965 | |
| 1257 | G | A | -1.0443 | |
| 1258 | I | A | -1.5145 | |
| 1259 | E | A | -2.0537 | |
| 1260 | A | A | -1.0444 | |
| 1261 | A | A | 0.0000 | |
| 1262 | R | A | -1.4477 | |
| 1263 | T | A | -1.0097 | |
| 1264 | T | A | 0.0000 | |
| 1265 | I | A | 0.0000 | |
| 1266 | I | A | 0.0000 | |
| 1267 | N | A | -1.0056 | |
| 1268 | E | A | -0.3287 | |
| 1269 | I | A | 0.0000 | |
| 1270 | Q | A | -0.0317 | |
| 1271 | Y | A | 0.5121 | |
| 1272 | T | A | 0.0000 | |
| 1273 | M | A | 0.0000 | |
| 1274 | V | A | 1.5362 | |
| 1275 | N | A | 0.4372 | |
| 1276 | H | A | -0.0987 | |
| 1277 | G | A | -0.0420 | |
| 1278 | M | A | 0.1966 | |
| 1279 | S | A | 0.0120 | |
| 1280 | I | A | 0.0000 | |
| 1281 | D | A | 0.0000 | |
| 1282 | R | A | -1.3624 | |
| 1283 | R | A | 0.0000 | |
| 1284 | H | A | 0.0000 | |
| 1285 | V | A | 0.0000 | |
| 1286 | M | A | -0.3623 | |
| 1287 | L | A | 0.0000 | |
| 1288 | L | A | 0.0000 | |
| 1289 | S | A | 0.0000 | |
| 1290 | D | A | -0.5337 | |
| 1291 | L | A | 0.0000 | |
| 1292 | M | A | 0.0000 | |
| 1293 | T | A | 0.0000 | |
| 1294 | Y | A | -1.1432 | |
| 1295 | K | A | -1.9717 | |
| 1296 | G | A | -1.9426 | |
| 1297 | E | A | -2.4122 | |
| 1298 | V | A | -1.3118 | |
| 1299 | L | A | 0.0000 | |
| 1300 | G | A | 0.0000 | |
| 1301 | I | A | 0.0000 | |
| 1302 | T | A | -0.5475 | |
| 1303 | R | A | -0.8215 | |
| 1304 | F | A | 1.0308 | |
| 1305 | G | A | 0.0000 | |
| 1306 | L | A | 0.0000 | |
| 1307 | A | A | -0.3389 | |
| 1308 | K | A | -0.9166 | |
| 1309 | M | A | 0.0000 | |
| 1310 | K | A | -1.0962 | |
| 1311 | E | A | -1.5740 | |
| 1312 | S | A | 0.0000 | |
| 1313 | V | A | 0.0000 | |
| 1314 | L | A | 0.0000 | |
| 1315 | M | A | 0.0000 | |
| 1316 | L | A | 0.0000 | |
| 1317 | A | A | 0.0000 | |
| 1318 | S | A | -1.2620 | |
| 1319 | F | A | -0.8459 | |
| 1320 | E | A | -1.6842 | |
| 1321 | K | A | -2.4704 | |
| 1322 | T | A | -1.8911 | |
| 1323 | A | A | 0.0000 | |
| 1324 | D | A | -2.2197 | |
| 1325 | H | A | 0.0000 | |
| 1326 | L | A | 0.0000 | |
| 1327 | F | A | -0.7618 | |
| 1328 | D | A | -0.8596 | |
| 1329 | A | A | 0.0000 | |
| 1330 | A | A | 0.0000 | |
| 1331 | Y | A | 0.0000 | |
| 1332 | F | A | 0.0000 | |
| 1333 | G | A | -0.8447 | |
| 1334 | Q | A | -0.9031 | |
| 1335 | K | A | -1.3946 | |
| 1336 | D | A | 0.0000 | |
| 1337 | S | A | -0.5961 | |
| 1338 | V | A | 0.0000 | |
| 1339 | C | A | 0.3431 | |
| 1340 | G | A | 0.0000 | |
| 1341 | V | A | 0.0000 | |
| 1342 | S | A | 0.6723 | |
| 1343 | E | A | 0.0000 | |
| 1344 | C | A | 0.0000 | |
| 1345 | I | A | 2.2185 | |
| 1346 | I | A | 1.2402 | |
| 1347 | M | A | 0.9443 | |
| 1348 | G | A | 0.4609 | |
| 1349 | I | A | 0.2452 | |
| 1350 | P | A | 0.0451 | |
| 1351 | M | A | 0.2104 | |
| 1352 | N | A | -0.5112 | |
| 1353 | I | A | -0.1286 | |
| 1354 | G | A | -0.3508 | |
| 1355 | T | A | -0.3571 | |
| 1356 | G | A | -0.2146 | |
| 1357 | L | A | 0.3103 | |
| 1358 | F | A | 1.1991 | |
| 1359 | K | A | 0.0425 | |
| 1360 | L | A | 1.3901 | |
| 1361 | L | A | 1.1530 | |
| 1362 | H | A | -0.9339 | |
| 1363 | K | A | -2.3236 | |
| 1364 | A | A | -2.5727 | |
| 1365 | D | A | -3.6104 | |
| 1366 | R | A | -4.0724 | |
| 1367 | D | A | -3.5578 | |
| 1368 | P | A | -2.5016 | |
| 1369 | N | A | -2.4035 | |
| 1370 | P | A | -2.3483 | |
| 1371 | P | A | -2.1367 | |
| 1372 | K | A | -2.8838 | |
| 1373 | R | A | -2.4111 | |
| 1374 | P | A | -0.6214 | |
| 1375 | L | A | 1.2667 | |
| 1376 | I | A | 2.5940 | |
| 1377 | F | A | 2.1841 | |
| 1378 | D | A | -0.2902 | |
| 1379 | T | A | -0.2378 | |
| 1380 | N | A | -1.3120 | |
| 1381 | E | A | -0.9738 | |
| 1382 | F | A | 1.1428 | |
| 1383 | H | A | 0.0364 | |
| 1384 | I | A | 1.8027 | |
| 1385 | P | A | 1.8501 | |
| 1386 | L | A | 2.6515 | |
| 1387 | V | A | 2.6733 | |
| 1388 | T | A | 1.0780 |
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 | -0.7775 | 6.575 | View | CSV | PDB |
| 4.5 | -0.8418 | 6.3542 | View | CSV | PDB |
| 5.0 | -0.9201 | 6.0931 | View | CSV | PDB |
| 5.5 | -0.9953 | 5.8171 | View | CSV | PDB |
| 6.0 | -1.0483 | 5.5496 | View | CSV | PDB |
| 6.5 | -1.0659 | 5.3069 | View | CSV | PDB |
| 7.0 | -1.0492 | 5.0896 | View | CSV | PDB |
| 7.5 | -1.0101 | 4.8866 | View | CSV | PDB |
| 8.0 | -0.9592 | 4.7888 | View | CSV | PDB |
| 8.5 | -0.9002 | 4.7891 | View | CSV | PDB |
| 9.0 | -0.8332 | 4.7892 | 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