| Chain sequence(s) |
A: MSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHLKKLKESYCQRQGVPMNSLRFLFEGQRIADNHTPKELGMEEEDVIEVYQEQTGGHSTVDNSRLYGWAPSKEYVYEFETQMLTGIPEIRSQYSGLKLSSKVRIQSFPDYSLRVQFVEPKFVTVNQEIPSIDGRLYVPSTHSEELPKAIYGPLVTPFEVHFKRGVIESLFVEKDEPVVVTNWKKALLSQIQTDLSGSREGHVQKLNHEVFPLVAKDSQEMKNRSFFHTKERTLHGDCKTTYTLHPKPLYQAHELEEQWRNHKIKVFETVPEYFQSIRSQKEIHEVMEESGRACTGKQYFRVTKTHNFDNCRKRPVFSAWSGIKSNCDVTRKKCDRAFNSIVSTRYIICGTPDLFVIRKATTENIISLSPTGFNTPEKLTSFSTVTLELRTILSTVSHQIPKPKTPKTVGNLFMEYPEHESFNSESISEQWTKGSIISPTNISGFTGFKSLSGFYPIHPMPTMDTAPTLLYPISLSKPELIRDVQEMMSKIVRETYEVPESCSSSSDLAGYIVSIAEALRPLSLTELKELDTEVHRFMEVRDKEAILTSQYLFYDILAMVGTNPSISYIKQLIGSDKIPIQYAPDVLESALRNIKTPTPELFNLVFTMVKTLKAKSPQLYYVSTVSFSDLLHRACINPSSMVAQFPVHVYGNFCNPETPFIKDQYITFLESQIQGGSQGSKSEKVVLINALGKLGHYKAVSTLVKFIQGKVSQEPMIRSLAVYALKRTAMQYPAKVKPILMSIINNPGEHPEVRIAAVSVLPFSSPSTTELQKIALRTWFEPSKQVTSFIYSTLKSLRTTQVPELMQFRNKVKSVIPMVRRTHSGIQFGGSGVEMVSKGEEDNMAIIKEFMRFKVHMEGSVNGHEFEIEGEGEGRPYEGTQTAKLKVTKGGPLPFAWDILSPQFMYGSKAYVKHPADIPDYLKLSFPEGFKWERVMNFEDGGVVTVTQDSSLQDGEFIYKVKLRGTNFPSDGPVMQKKTMGWEASSERMYPEDGALKGEIKQRLKLKDGGHYDAEVKTTYKAKKPVQLPGAYNVNIKLDITSHNEDYTIVEQYERAEGRHSTGGMDELYKGGSGVEHHHHHH
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] (00:00:01)
[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 A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:06)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:35:04)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d5489ce815c81d6/tmp/folded.pdb (00:35:04)
[INFO] Main: Simulation completed successfully. (00:41:41)
|
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 | 0.3008 | |
| 2 | S | A | -1.1798 | |
| 3 | D | A | -2.7028 | |
| 4 | Q | A | -3.1153 | |
| 5 | E | A | -3.4157 | |
| 6 | A | A | -2.3327 | |
| 7 | K | A | -2.5280 | |
| 8 | P | A | -1.6907 | |
| 9 | S | A | -1.5437 | |
| 10 | T | A | -1.5770 | |
| 11 | E | A | -2.4534 | |
| 12 | D | A | -2.3874 | |
| 13 | L | A | -0.8046 | |
| 14 | G | A | -2.1252 | |
| 15 | D | A | -3.5009 | |
| 16 | K | A | -3.9110 | |
| 17 | K | A | -4.3593 | |
| 18 | E | A | -3.8828 | |
| 19 | G | A | -3.1892 | |
| 20 | E | A | -2.5065 | |
| 21 | Y | A | -1.3584 | |
| 22 | I | A | 0.0000 | |
| 23 | K | A | -2.5115 | |
| 24 | L | A | 0.0000 | |
| 25 | K | A | -1.5738 | |
| 26 | V | A | 0.0000 | |
| 27 | I | A | -0.7786 | |
| 28 | G | A | -1.4432 | |
| 29 | Q | A | -2.0135 | |
| 30 | D | A | -2.0762 | |
| 31 | S | A | -1.5600 | |
| 32 | S | A | 0.0000 | |
| 33 | E | A | -1.4833 | |
| 34 | I | A | 0.0000 | |
| 35 | H | A | -1.3819 | |
| 36 | F | A | -1.3220 | |
| 37 | K | A | -2.1043 | |
| 38 | V | A | 0.0000 | |
| 39 | K | A | -1.2321 | |
| 40 | M | A | -1.8140 | |
| 41 | T | A | -1.1901 | |
| 42 | T | A | -1.4103 | |
| 43 | H | A | -2.5221 | |
| 44 | L | A | 0.0000 | |
| 45 | K | A | -2.7647 | |
| 46 | K | A | -2.8828 | |
| 47 | L | A | 0.0000 | |
| 48 | K | A | 0.0000 | |
| 49 | E | A | -2.4323 | |
| 50 | S | A | -1.6475 | |
| 51 | Y | A | 0.0000 | |
| 52 | C | A | 0.0000 | |
| 53 | Q | A | -1.8322 | |
| 54 | R | A | -1.5013 | |
| 55 | Q | A | 0.0000 | |
| 56 | G | A | -1.0664 | |
| 57 | V | A | 0.0000 | |
| 58 | P | A | -1.2038 | |
| 59 | M | A | -1.1925 | |
| 60 | N | A | -1.5679 | |
| 61 | S | A | -0.9769 | |
| 62 | L | A | 0.0000 | |
| 63 | R | A | -1.4781 | |
| 64 | F | A | 0.0000 | |
| 65 | L | A | -1.5094 | |
| 66 | F | A | 0.0000 | |
| 67 | E | A | -2.5675 | |
| 68 | G | A | -2.2341 | |
| 69 | Q | A | -2.5024 | |
| 70 | R | A | -2.1129 | |
| 71 | I | A | 0.0000 | |
| 72 | A | A | -1.4694 | |
| 73 | D | A | -2.3951 | |
| 74 | N | A | -2.5364 | |
| 75 | H | A | -2.1812 | |
| 76 | T | A | -2.1560 | |
| 77 | P | A | 0.0000 | |
| 78 | K | A | -3.2620 | |
| 79 | E | A | -2.9250 | |
| 80 | L | A | -2.0090 | |
| 81 | G | A | -1.9772 | |
| 82 | M | A | 0.0000 | |
| 83 | E | A | -3.4386 | |
| 84 | E | A | -3.7487 | |
| 85 | E | A | -3.5785 | |
| 86 | D | A | -2.6040 | |
| 87 | V | A | -1.1105 | |
| 88 | I | A | 0.0000 | |
| 89 | E | A | -1.6031 | |
| 90 | V | A | 0.0000 | |
| 91 | Y | A | -0.8519 | |
| 92 | Q | A | -1.0259 | |
| 93 | E | A | -1.4420 | |
| 94 | Q | A | -1.9167 | |
| 95 | T | A | -1.5011 | |
| 96 | G | A | -1.4246 | |
| 97 | G | A | -1.4836 | |
| 98 | H | A | -1.5079 | |
| 99 | S | A | -0.8614 | |
| 100 | T | A | -0.5634 | |
| 101 | V | A | 0.0203 | |
| 102 | D | A | -1.0561 | |
| 103 | N | A | -1.0329 | |
| 104 | S | A | -0.8602 | |
| 105 | R | A | -1.2275 | |
| 106 | L | A | 0.0000 | |
| 107 | Y | A | 0.0000 | |
| 108 | G | A | 0.0000 | |
| 109 | W | A | 0.0000 | |
| 110 | A | A | -0.2103 | |
| 111 | P | A | -0.3759 | |
| 112 | S | A | -0.5004 | |
| 113 | K | A | -0.6196 | |
| 114 | E | A | 0.0000 | |
| 115 | Y | A | 0.0000 | |
| 116 | V | A | 0.0000 | |
| 117 | Y | A | 0.0000 | |
| 118 | E | A | -1.0589 | |
| 119 | F | A | 0.0000 | |
| 120 | E | A | -0.7268 | |
| 121 | T | A | 0.0000 | |
| 122 | Q | A | 0.0000 | |
| 123 | M | A | 0.3029 | |
| 124 | L | A | 0.0000 | |
| 125 | T | A | -0.1376 | |
| 126 | G | A | 0.0000 | |
| 127 | I | A | 0.0000 | |
| 128 | P | A | -1.5632 | |
| 129 | E | A | -2.1628 | |
| 130 | I | A | -1.3792 | |
| 131 | R | A | -1.7938 | |
| 132 | S | A | -1.5554 | |
| 133 | Q | A | -2.1739 | |
| 134 | Y | A | 0.0000 | |
| 135 | S | A | -0.9822 | |
| 136 | G | A | -0.3361 | |
| 137 | L | A | 0.2556 | |
| 138 | K | A | -0.2452 | |
| 139 | L | A | 0.0000 | |
| 140 | S | A | -1.0747 | |
| 141 | S | A | 0.0000 | |
| 142 | K | A | -1.0449 | |
| 143 | V | A | 0.0000 | |
| 144 | R | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | Q | A | 0.0000 | |
| 147 | S | A | 0.0000 | |
| 148 | F | A | 0.0000 | |
| 149 | P | A | -0.9162 | |
| 150 | D | A | -1.0562 | |
| 151 | Y | A | -0.4273 | |
| 152 | S | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | R | A | -0.8072 | |
| 155 | V | A | 0.0000 | |
| 156 | Q | A | -0.2966 | |
| 157 | F | A | 0.0000 | |
| 158 | V | A | 0.0000 | |
| 159 | E | A | -1.4161 | |
| 160 | P | A | 0.0000 | |
| 161 | K | A | -2.5654 | |
| 162 | F | A | 0.0000 | |
| 163 | V | A | 0.0000 | |
| 164 | T | A | -0.5418 | |
| 165 | V | A | 0.0000 | |
| 166 | N | A | -1.6855 | |
| 167 | Q | A | -1.4037 | |
| 168 | E | A | -1.4657 | |
| 169 | I | A | 0.0000 | |
| 170 | P | A | 0.0000 | |
| 171 | S | A | -0.3838 | |
| 172 | I | A | 0.0910 | |
| 173 | D | A | -0.7936 | |
| 174 | G | A | -1.0770 | |
| 175 | R | A | -1.3618 | |
| 176 | L | A | 0.0000 | |
| 177 | Y | A | 0.5562 | |
| 178 | V | A | 0.0000 | |
| 179 | P | A | -0.1117 | |
| 180 | S | A | -0.6626 | |
| 181 | T | A | -0.7006 | |
| 182 | H | A | -1.4598 | |
| 183 | S | A | -1.5655 | |
| 184 | E | A | 0.0000 | |
| 185 | E | A | -2.5252 | |
| 186 | L | A | 0.0000 | |
| 187 | P | A | -1.1407 | |
| 188 | K | A | -1.8496 | |
| 189 | A | A | -0.7201 | |
| 190 | I | A | 0.0000 | |
| 191 | Y | A | -0.7275 | |
| 192 | G | A | -0.3689 | |
| 193 | P | A | -0.4218 | |
| 194 | L | A | 0.0000 | |
| 195 | V | A | 0.1761 | |
| 196 | T | A | -0.1668 | |
| 197 | P | A | -0.7170 | |
| 198 | F | A | 0.0000 | |
| 199 | E | A | 0.0000 | |
| 200 | V | A | 0.0000 | |
| 201 | H | A | -0.4770 | |
| 202 | F | A | 0.0000 | |
| 203 | K | A | -0.7892 | |
| 204 | R | A | 0.0000 | |
| 205 | G | A | 0.0000 | |
| 206 | V | A | -0.2789 | |
| 207 | I | A | 0.0000 | |
| 208 | E | A | -0.8986 | |
| 209 | S | A | -0.4024 | |
| 210 | L | A | 0.0000 | |
| 211 | F | A | -0.6587 | |
| 212 | V | A | 0.0000 | |
| 213 | E | A | -2.3550 | |
| 214 | K | A | -3.0615 | |
| 215 | D | A | -2.7229 | |
| 216 | E | A | 0.0000 | |
| 217 | P | A | -0.9120 | |
| 218 | V | A | -0.1180 | |
| 219 | V | A | 0.1707 | |
| 220 | V | A | 0.0000 | |
| 221 | T | A | 0.0000 | |
| 222 | N | A | 0.0000 | |
| 223 | W | A | 0.0000 | |
| 224 | K | A | 0.0000 | |
| 225 | K | A | 0.0000 | |
| 226 | A | A | 0.0000 | |
| 227 | L | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | S | A | -0.0898 | |
| 230 | Q | A | 0.0000 | |
| 231 | I | A | 0.0000 | |
| 232 | Q | A | 0.0000 | |
| 233 | T | A | 0.0000 | |
| 234 | D | A | 0.0000 | |
| 235 | L | A | 0.0000 | |
| 236 | S | A | 0.0000 | |
| 237 | G | A | 0.0000 | |
| 238 | S | A | 0.0000 | |
| 239 | R | A | 0.0000 | |
| 240 | E | A | -1.2151 | |
| 241 | G | A | -1.2663 | |
| 242 | H | A | -1.5308 | |
| 243 | V | A | -1.6025 | |
| 244 | Q | A | -2.5916 | |
| 245 | K | A | -2.7686 | |
| 246 | L | A | -1.8057 | |
| 247 | N | A | -2.2891 | |
| 248 | H | A | -1.8849 | |
| 249 | E | A | -2.2756 | |
| 250 | V | A | -0.9767 | |
| 251 | F | A | 0.0963 | |
| 252 | P | A | 0.2971 | |
| 253 | L | A | 0.4563 | |
| 254 | V | A | 0.8952 | |
| 255 | A | A | -0.7286 | |
| 256 | K | A | -2.1928 | |
| 257 | D | A | -3.0393 | |
| 258 | S | A | -2.5696 | |
| 259 | Q | A | -2.7317 | |
| 260 | E | A | -2.5541 | |
| 261 | M | A | -0.9781 | |
| 262 | K | A | -1.2122 | |
| 263 | N | A | -0.7623 | |
| 264 | R | A | -0.4481 | |
| 265 | S | A | -0.1910 | |
| 266 | F | A | 0.0000 | |
| 267 | F | A | 0.0000 | |
| 268 | H | A | 0.0000 | |
| 269 | T | A | 0.0000 | |
| 270 | K | A | -1.1634 | |
| 271 | E | A | 0.0000 | |
| 272 | R | A | -1.7026 | |
| 273 | T | A | 0.0000 | |
| 274 | L | A | -0.3739 | |
| 275 | H | A | -0.6409 | |
| 276 | G | A | 0.0000 | |
| 277 | D | A | 0.0000 | |
| 278 | C | A | 0.0000 | |
| 279 | K | A | -0.7943 | |
| 280 | T | A | 0.0000 | |
| 281 | T | A | 0.0000 | |
| 282 | Y | A | 0.0000 | |
| 283 | T | A | 0.0000 | |
| 284 | L | A | 0.0000 | |
| 285 | H | A | 0.0000 | |
| 286 | P | A | 0.0780 | |
| 287 | K | A | 0.2005 | |
| 288 | P | A | 0.0000 | |
| 289 | L | A | 1.2905 | |
| 290 | Y | A | 0.6896 | |
| 291 | Q | A | -0.3753 | |
| 292 | A | A | 0.0000 | |
| 293 | H | A | -1.3146 | |
| 294 | E | A | -1.8938 | |
| 295 | L | A | -1.4739 | |
| 296 | E | A | 0.0000 | |
| 297 | E | A | -3.3544 | |
| 298 | Q | A | -2.8191 | |
| 299 | W | A | 0.0000 | |
| 300 | R | A | -3.6103 | |
| 301 | N | A | -2.7190 | |
| 302 | H | A | -2.0498 | |
| 303 | K | A | -1.7773 | |
| 304 | I | A | 0.1817 | |
| 305 | K | A | -1.4134 | |
| 306 | V | A | 0.0000 | |
| 307 | F | A | -0.3806 | |
| 308 | E | A | -1.8340 | |
| 309 | T | A | -1.2267 | |
| 310 | V | A | 0.0000 | |
| 311 | P | A | 0.0000 | |
| 312 | E | A | -1.7748 | |
| 313 | Y | A | 0.2942 | |
| 314 | F | A | 0.0000 | |
| 315 | Q | A | -1.3791 | |
| 316 | S | A | -0.1873 | |
| 317 | I | A | 0.8888 | |
| 318 | R | A | -0.6565 | |
| 319 | S | A | -1.7539 | |
| 320 | Q | A | -3.0104 | |
| 321 | K | A | -3.6557 | |
| 322 | E | A | -3.3687 | |
| 323 | I | A | 0.0000 | |
| 324 | H | A | -3.3928 | |
| 325 | E | A | -3.8618 | |
| 326 | V | A | 0.0000 | |
| 327 | M | A | 0.0000 | |
| 328 | E | A | -3.2635 | |
| 329 | E | A | -2.8398 | |
| 330 | S | A | 0.0000 | |
| 331 | G | A | -2.5774 | |
| 332 | R | A | -2.9372 | |
| 333 | A | A | -1.5650 | |
| 334 | C | A | 0.0000 | |
| 335 | T | A | -1.6751 | |
| 336 | G | A | -1.5778 | |
| 337 | K | A | -1.9024 | |
| 338 | Q | A | -1.1166 | |
| 339 | Y | A | 0.0000 | |
| 340 | F | A | -0.2649 | |
| 341 | R | A | -0.5029 | |
| 342 | V | A | 0.0000 | |
| 343 | T | A | 0.0000 | |
| 344 | K | A | 0.0000 | |
| 345 | T | A | 0.0000 | |
| 346 | H | A | 0.0000 | |
| 347 | N | A | 0.0000 | |
| 348 | F | A | -0.5689 | |
| 349 | D | A | -0.8665 | |
| 350 | N | A | 0.0000 | |
| 351 | C | A | 0.0000 | |
| 352 | R | A | -3.3574 | |
| 353 | K | A | -3.1871 | |
| 354 | R | A | -2.0696 | |
| 355 | P | A | 0.0000 | |
| 356 | V | A | 1.9047 | |
| 357 | F | A | 2.1586 | |
| 358 | S | A | 0.9094 | |
| 359 | A | A | 0.8777 | |
| 360 | W | A | 0.1007 | |
| 361 | S | A | -0.3980 | |
| 362 | G | A | -1.2345 | |
| 363 | I | A | -1.0115 | |
| 364 | K | A | -2.4238 | |
| 365 | S | A | -1.6581 | |
| 366 | N | A | -2.5161 | |
| 367 | C | A | 0.0000 | |
| 368 | D | A | -2.6891 | |
| 369 | V | A | -2.3074 | |
| 370 | T | A | -2.0697 | |
| 371 | R | A | -3.4868 | |
| 372 | K | A | -4.0114 | |
| 373 | K | A | -3.8291 | |
| 374 | C | A | -3.1990 | |
| 375 | D | A | -3.6881 | |
| 376 | R | A | -2.9978 | |
| 377 | A | A | 0.0000 | |
| 378 | F | A | -0.6142 | |
| 379 | N | A | -1.2254 | |
| 380 | S | A | 0.0000 | |
| 381 | I | A | 0.4249 | |
| 382 | V | A | 0.0000 | |
| 383 | S | A | 0.0000 | |
| 384 | T | A | 0.0000 | |
| 385 | R | A | -1.3487 | |
| 386 | Y | A | 0.0000 | |
| 387 | I | A | -0.2478 | |
| 388 | I | A | 0.0000 | |
| 389 | C | A | 0.0000 | |
| 390 | G | A | -0.5369 | |
| 391 | T | A | -0.3167 | |
| 392 | P | A | 0.0000 | |
| 393 | D | A | 0.0000 | |
| 394 | L | A | 0.1701 | |
| 395 | F | A | 0.0000 | |
| 396 | V | A | 0.1643 | |
| 397 | I | A | 0.0000 | |
| 398 | R | A | 0.0000 | |
| 399 | K | A | -0.7700 | |
| 400 | A | A | 0.0000 | |
| 401 | T | A | -0.7513 | |
| 402 | T | A | 0.0000 | |
| 403 | E | A | -0.7662 | |
| 404 | N | A | 0.0000 | |
| 405 | I | A | 1.0537 | |
| 406 | I | A | 0.7786 | |
| 407 | S | A | 0.1796 | |
| 408 | L | A | 0.1351 | |
| 409 | S | A | 0.0000 | |
| 410 | P | A | -0.1489 | |
| 411 | T | A | -0.1930 | |
| 412 | G | A | -0.5138 | |
| 413 | F | A | -0.8764 | |
| 414 | N | A | -1.6183 | |
| 415 | T | A | 0.0000 | |
| 416 | P | A | -0.9954 | |
| 417 | E | A | -1.2757 | |
| 418 | K | A | -0.6483 | |
| 419 | L | A | 0.0168 | |
| 420 | T | A | 0.1396 | |
| 421 | S | A | 0.4548 | |
| 422 | F | A | 0.0000 | |
| 423 | S | A | 0.2050 | |
| 424 | T | A | 0.0000 | |
| 425 | V | A | 0.0000 | |
| 426 | T | A | -0.6320 | |
| 427 | L | A | 0.0000 | |
| 428 | E | A | -0.7767 | |
| 429 | L | A | 0.0000 | |
| 430 | R | A | 0.0000 | |
| 431 | T | A | 0.0000 | |
| 432 | I | A | 0.0000 | |
| 433 | L | A | 0.0000 | |
| 434 | S | A | -0.5203 | |
| 435 | T | A | -0.5054 | |
| 436 | V | A | -0.6682 | |
| 437 | S | A | -0.7494 | |
| 438 | H | A | -1.2835 | |
| 439 | Q | A | -1.9259 | |
| 440 | I | A | 0.0000 | |
| 441 | P | A | -1.8463 | |
| 442 | K | A | -2.4623 | |
| 443 | P | A | 0.0000 | |
| 444 | K | A | -2.5507 | |
| 445 | T | A | -2.1086 | |
| 446 | P | A | -1.9019 | |
| 447 | K | A | -1.8877 | |
| 448 | T | A | -0.6533 | |
| 449 | V | A | -0.2752 | |
| 450 | G | A | -0.6991 | |
| 451 | N | A | -0.8714 | |
| 452 | L | A | 0.0000 | |
| 453 | F | A | -0.1854 | |
| 454 | M | A | 0.5951 | |
| 455 | E | A | 0.1582 | |
| 456 | Y | A | 0.6386 | |
| 457 | P | A | -1.2612 | |
| 458 | E | A | -2.7191 | |
| 459 | H | A | -2.4019 | |
| 460 | E | A | -2.6469 | |
| 461 | S | A | -1.1411 | |
| 462 | F | A | 0.2743 | |
| 463 | N | A | -1.2061 | |
| 464 | S | A | -1.0463 | |
| 465 | E | A | -2.3355 | |
| 466 | S | A | -1.5594 | |
| 467 | I | A | -1.2551 | |
| 468 | S | A | -1.5440 | |
| 469 | E | A | -2.7314 | |
| 470 | Q | A | -2.3315 | |
| 471 | W | A | -1.3374 | |
| 472 | T | A | -1.3334 | |
| 473 | K | A | -2.0394 | |
| 474 | G | A | -0.6208 | |
| 475 | S | A | 0.7779 | |
| 476 | I | A | 2.4270 | |
| 477 | I | A | 2.6841 | |
| 478 | S | A | 1.0030 | |
| 479 | P | A | 0.3024 | |
| 480 | T | A | -0.0168 | |
| 481 | N | A | -0.5509 | |
| 482 | I | A | 1.3976 | |
| 483 | S | A | 0.5243 | |
| 484 | G | A | 0.6584 | |
| 485 | F | A | 1.9485 | |
| 486 | T | A | 0.6656 | |
| 487 | G | A | 0.2546 | |
| 488 | F | A | 0.7228 | |
| 489 | K | A | -1.0125 | |
| 490 | S | A | -0.7650 | |
| 491 | L | A | -0.0039 | |
| 492 | S | A | -0.2744 | |
| 493 | G | A | -0.1654 | |
| 494 | F | A | 0.7491 | |
| 495 | Y | A | 1.3517 | |
| 496 | P | A | 0.6508 | |
| 497 | I | A | 0.8931 | |
| 498 | H | A | 0.3072 | |
| 499 | P | A | -0.0489 | |
| 500 | M | A | -0.0319 | |
| 501 | P | A | -0.4348 | |
| 502 | T | A | -0.9403 | |
| 503 | M | A | 0.0000 | |
| 504 | D | A | -1.8248 | |
| 505 | T | A | -0.9705 | |
| 506 | A | A | -0.4981 | |
| 507 | P | A | -0.2002 | |
| 508 | T | A | 0.2848 | |
| 509 | L | A | 0.6594 | |
| 510 | L | A | 0.9458 | |
| 511 | Y | A | 0.6660 | |
| 512 | P | A | 0.2563 | |
| 513 | I | A | 0.4486 | |
| 514 | S | A | -0.2345 | |
| 515 | L | A | 0.0000 | |
| 516 | S | A | -0.8183 | |
| 517 | K | A | -1.3153 | |
| 518 | P | A | -1.2862 | |
| 519 | E | A | -1.2840 | |
| 520 | L | A | 0.0000 | |
| 521 | I | A | -1.7984 | |
| 522 | R | A | -2.2587 | |
| 523 | D | A | 0.0000 | |
| 524 | V | A | 0.0000 | |
| 525 | Q | A | -1.6460 | |
| 526 | E | A | -1.3308 | |
| 527 | M | A | 0.0000 | |
| 528 | M | A | 0.0000 | |
| 529 | S | A | -1.4322 | |
| 530 | K | A | -1.1273 | |
| 531 | I | A | 0.0000 | |
| 532 | V | A | 0.0000 | |
| 533 | R | A | -2.5596 | |
| 534 | E | A | -1.5821 | |
| 535 | T | A | 0.0000 | |
| 536 | Y | A | -1.5483 | |
| 537 | E | A | -2.3662 | |
| 538 | V | A | -1.5721 | |
| 539 | P | A | -1.8063 | |
| 540 | E | A | -2.7879 | |
| 541 | S | A | -1.7994 | |
| 542 | C | A | -1.0849 | |
| 543 | S | A | -1.1866 | |
| 544 | S | A | -0.9008 | |
| 545 | S | A | -0.7556 | |
| 546 | S | A | -0.3043 | |
| 547 | D | A | 0.0000 | |
| 548 | L | A | 0.1901 | |
| 549 | A | A | 0.0000 | |
| 550 | G | A | 0.0000 | |
| 551 | Y | A | 0.0000 | |
| 552 | I | A | 0.5057 | |
| 553 | V | A | 0.4642 | |
| 554 | S | A | 0.0000 | |
| 555 | I | A | 0.0000 | |
| 556 | A | A | 0.0000 | |
| 557 | E | A | 0.0000 | |
| 558 | A | A | 0.0000 | |
| 559 | L | A | 0.0000 | |
| 560 | R | A | -0.5731 | |
| 561 | P | A | 0.0000 | |
| 562 | L | A | 0.0000 | |
| 563 | S | A | -1.0714 | |
| 564 | L | A | -1.1617 | |
| 565 | T | A | -1.3836 | |
| 566 | E | A | -1.6754 | |
| 567 | L | A | 0.0000 | |
| 568 | K | A | -2.3039 | |
| 569 | E | A | -2.8516 | |
| 570 | L | A | 0.0000 | |
| 571 | D | A | -1.9100 | |
| 572 | T | A | -2.2262 | |
| 573 | E | A | -2.7914 | |
| 574 | V | A | 0.0000 | |
| 575 | H | A | -1.7861 | |
| 576 | R | A | -2.4322 | |
| 577 | F | A | -1.8206 | |
| 578 | M | A | 0.0000 | |
| 579 | E | A | -1.9239 | |
| 580 | V | A | -0.4169 | |
| 581 | R | A | -2.4484 | |
| 582 | D | A | -3.1614 | |
| 583 | K | A | -3.2023 | |
| 584 | E | A | -2.8682 | |
| 585 | A | A | 0.0000 | |
| 586 | I | A | -0.7931 | |
| 587 | L | A | 0.9664 | |
| 588 | T | A | 0.4652 | |
| 589 | S | A | 0.0000 | |
| 590 | Q | A | 0.2179 | |
| 591 | Y | A | 0.4342 | |
| 592 | L | A | 0.3770 | |
| 593 | F | A | 0.0000 | |
| 594 | Y | A | 0.0000 | |
| 595 | D | A | -0.5222 | |
| 596 | I | A | 0.0000 | |
| 597 | L | A | 0.0000 | |
| 598 | A | A | 0.0000 | |
| 599 | M | A | -0.1026 | |
| 600 | V | A | 0.0000 | |
| 601 | G | A | 0.0000 | |
| 602 | T | A | 0.0000 | |
| 603 | N | A | 0.0000 | |
| 604 | P | A | 0.0000 | |
| 605 | S | A | 0.0000 | |
| 606 | I | A | 0.0000 | |
| 607 | S | A | 0.0000 | |
| 608 | Y | A | 0.0000 | |
| 609 | I | A | 0.0000 | |
| 610 | K | A | -1.4858 | |
| 611 | Q | A | -2.1965 | |
| 612 | L | A | 0.0000 | |
| 613 | I | A | 0.0000 | |
| 614 | G | A | -2.0687 | |
| 615 | S | A | -2.1377 | |
| 616 | D | A | -2.8856 | |
| 617 | K | A | -2.7421 | |
| 618 | I | A | 0.0000 | |
| 619 | P | A | -0.9017 | |
| 620 | I | A | -0.7011 | |
| 621 | Q | A | -1.0888 | |
| 622 | Y | A | -0.6226 | |
| 623 | A | A | 0.0000 | |
| 624 | P | A | -1.4098 | |
| 625 | D | A | -2.2594 | |
| 626 | V | A | 0.0000 | |
| 627 | L | A | 0.0000 | |
| 628 | E | A | -2.8731 | |
| 629 | S | A | -2.0551 | |
| 630 | A | A | 0.0000 | |
| 631 | L | A | 0.0000 | |
| 632 | R | A | -2.6821 | |
| 633 | N | A | -1.6097 | |
| 634 | I | A | 0.0000 | |
| 635 | K | A | -1.6393 | |
| 636 | T | A | 0.0000 | |
| 637 | P | A | 0.0000 | |
| 638 | T | A | 0.0000 | |
| 639 | P | A | -1.2287 | |
| 640 | E | A | -2.0301 | |
| 641 | L | A | 0.0000 | |
| 642 | F | A | 0.0000 | |
| 643 | N | A | -1.7607 | |
| 644 | L | A | -0.9030 | |
| 645 | V | A | 0.0000 | |
| 646 | F | A | 0.0000 | |
| 647 | T | A | -0.9361 | |
| 648 | M | A | 0.0000 | |
| 649 | V | A | 0.0000 | |
| 650 | K | A | -2.1134 | |
| 651 | T | A | -1.4455 | |
| 652 | L | A | 0.0000 | |
| 653 | K | A | -1.9529 | |
| 654 | A | A | -1.1884 | |
| 655 | K | A | -1.3038 | |
| 656 | S | A | 0.0000 | |
| 657 | P | A | -1.0245 | |
| 658 | Q | A | -1.0984 | |
| 659 | L | A | 0.0000 | |
| 660 | Y | A | 0.0000 | |
| 661 | Y | A | 0.0386 | |
| 662 | V | A | 0.0000 | |
| 663 | S | A | 0.0000 | |
| 664 | T | A | 0.0000 | |
| 665 | V | A | -0.1586 | |
| 666 | S | A | -0.9929 | |
| 667 | F | A | 0.0000 | |
| 668 | S | A | 0.0000 | |
| 669 | D | A | -0.8964 | |
| 670 | L | A | 0.0000 | |
| 671 | L | A | 0.0000 | |
| 672 | H | A | 0.0000 | |
| 673 | R | A | -0.8179 | |
| 674 | A | A | 0.0000 | |
| 675 | C | A | 0.0000 | |
| 676 | I | A | 0.0000 | |
| 677 | N | A | -0.6742 | |
| 678 | P | A | 0.0352 | |
| 679 | S | A | -0.1312 | |
| 680 | S | A | 0.0000 | |
| 681 | M | A | 0.0000 | |
| 682 | V | A | 0.0346 | |
| 683 | A | A | -0.1980 | |
| 684 | Q | A | -0.5878 | |
| 685 | F | A | 0.0000 | |
| 686 | P | A | -0.4764 | |
| 687 | V | A | 0.0000 | |
| 688 | H | A | -0.0382 | |
| 689 | V | A | 0.0000 | |
| 690 | Y | A | 0.2896 | |
| 691 | G | A | 0.0000 | |
| 692 | N | A | -0.5002 | |
| 693 | F | A | 0.0000 | |
| 694 | C | A | 0.0000 | |
| 695 | N | A | -1.6660 | |
| 696 | P | A | -1.3573 | |
| 697 | E | A | -2.1523 | |
| 698 | T | A | -1.6681 | |
| 699 | P | A | -1.7474 | |
| 700 | F | A | 0.0000 | |
| 701 | I | A | 0.0000 | |
| 702 | K | A | -2.2303 | |
| 703 | D | A | -2.8617 | |
| 704 | Q | A | -2.3391 | |
| 705 | Y | A | 0.0000 | |
| 706 | I | A | 0.0000 | |
| 707 | T | A | -1.2240 | |
| 708 | F | A | -0.8550 | |
| 709 | L | A | 0.0000 | |
| 710 | E | A | -0.9865 | |
| 711 | S | A | -0.8768 | |
| 712 | Q | A | -0.9401 | |
| 713 | I | A | 0.0000 | |
| 714 | Q | A | -1.7798 | |
| 715 | G | A | -1.4835 | |
| 716 | G | A | -1.4589 | |
| 717 | S | A | -1.4287 | |
| 718 | Q | A | -1.7249 | |
| 719 | G | A | -1.4608 | |
| 720 | S | A | -1.1033 | |
| 721 | K | A | -1.2743 | |
| 722 | S | A | -0.8457 | |
| 723 | E | A | -0.6103 | |
| 724 | K | A | 0.0000 | |
| 725 | V | A | 0.1516 | |
| 726 | V | A | 0.0000 | |
| 727 | L | A | 0.0000 | |
| 728 | I | A | 0.0000 | |
| 729 | N | A | -0.0598 | |
| 730 | A | A | 0.0000 | |
| 731 | L | A | 0.0000 | |
| 732 | G | A | 0.0000 | |
| 733 | K | A | -0.9144 | |
| 734 | L | A | 0.0000 | |
| 735 | G | A | 0.0000 | |
| 736 | H | A | 0.0000 | |
| 737 | Y | A | -0.2747 | |
| 738 | K | A | -0.7652 | |
| 739 | A | A | 0.0000 | |
| 740 | V | A | 0.0000 | |
| 741 | S | A | -0.5315 | |
| 742 | T | A | 0.0000 | |
| 743 | L | A | 0.0000 | |
| 744 | V | A | -0.6950 | |
| 745 | K | A | -1.5788 | |
| 746 | F | A | 0.0000 | |
| 747 | I | A | 0.0000 | |
| 748 | Q | A | -2.1327 | |
| 749 | G | A | 0.0000 | |
| 750 | K | A | -2.4371 | |
| 751 | V | A | -1.6810 | |
| 752 | S | A | -1.7664 | |
| 753 | Q | A | -2.1446 | |
| 754 | E | A | -1.4564 | |
| 755 | P | A | -1.2153 | |
| 756 | M | A | -0.4717 | |
| 757 | I | A | 0.0000 | |
| 758 | R | A | -1.1601 | |
| 759 | S | A | -0.3142 | |
| 760 | L | A | 0.4494 | |
| 761 | A | A | 0.0000 | |
| 762 | V | A | 0.0000 | |
| 763 | Y | A | 0.4972 | |
| 764 | A | A | -0.0588 | |
| 765 | L | A | 0.0000 | |
| 766 | K | A | -0.4752 | |
| 767 | R | A | -0.6106 | |
| 768 | T | A | 0.0000 | |
| 769 | A | A | 0.0000 | |
| 770 | M | A | 0.0133 | |
| 771 | Q | A | -0.1981 | |
| 772 | Y | A | -0.0505 | |
| 773 | P | A | -0.2514 | |
| 774 | A | A | -0.3633 | |
| 775 | K | A | -0.8104 | |
| 776 | V | A | 0.0000 | |
| 777 | K | A | -0.3700 | |
| 778 | P | A | -0.4003 | |
| 779 | I | A | -0.0433 | |
| 780 | L | A | 0.0000 | |
| 781 | M | A | -0.5464 | |
| 782 | S | A | -0.6204 | |
| 783 | I | A | 0.0000 | |
| 784 | I | A | 0.0000 | |
| 785 | N | A | -1.5074 | |
| 786 | N | A | -1.9454 | |
| 787 | P | A | -1.2841 | |
| 788 | G | A | -1.3285 | |
| 789 | E | A | -1.6665 | |
| 790 | H | A | -1.5299 | |
| 791 | P | A | -1.8642 | |
| 792 | E | A | -2.0576 | |
| 793 | V | A | 0.0000 | |
| 794 | R | A | 0.0000 | |
| 795 | I | A | -0.5546 | |
| 796 | A | A | 0.0000 | |
| 797 | A | A | 0.0000 | |
| 798 | V | A | 0.0000 | |
| 799 | S | A | 0.1792 | |
| 800 | V | A | 0.0000 | |
| 801 | L | A | 0.0000 | |
| 802 | P | A | 0.0000 | |
| 803 | F | A | 0.0068 | |
| 804 | S | A | 0.0000 | |
| 805 | S | A | -0.3385 | |
| 806 | P | A | 0.0000 | |
| 807 | S | A | -0.6360 | |
| 808 | T | A | -1.0258 | |
| 809 | T | A | -1.0651 | |
| 810 | E | A | -1.1727 | |
| 811 | L | A | 0.0000 | |
| 812 | Q | A | -1.6784 | |
| 813 | K | A | -2.1090 | |
| 814 | I | A | 0.0000 | |
| 815 | A | A | 0.0000 | |
| 816 | L | A | 0.0337 | |
| 817 | R | A | -0.0634 | |
| 818 | T | A | 0.0000 | |
| 819 | W | A | 1.1175 | |
| 820 | F | A | 1.9810 | |
| 821 | E | A | -0.0200 | |
| 822 | P | A | -0.5089 | |
| 823 | S | A | -1.3299 | |
| 824 | K | A | -2.4062 | |
| 825 | Q | A | -2.2157 | |
| 826 | V | A | 0.0000 | |
| 827 | T | A | 0.0000 | |
| 828 | S | A | -1.1156 | |
| 829 | F | A | -0.1937 | |
| 830 | I | A | 0.0000 | |
| 831 | Y | A | -0.4214 | |
| 832 | S | A | -0.5971 | |
| 833 | T | A | -0.4830 | |
| 834 | L | A | 0.0000 | |
| 835 | K | A | -1.7516 | |
| 836 | S | A | -1.5117 | |
| 837 | L | A | 0.0000 | |
| 838 | R | A | -3.1065 | |
| 839 | T | A | -1.5754 | |
| 840 | T | A | 0.0000 | |
| 841 | Q | A | -1.5060 | |
| 842 | V | A | -0.8319 | |
| 843 | P | A | -0.7678 | |
| 844 | E | A | -1.2752 | |
| 845 | L | A | 0.0000 | |
| 846 | M | A | -1.6739 | |
| 847 | Q | A | -2.2527 | |
| 848 | F | A | 0.0000 | |
| 849 | R | A | -3.2149 | |
| 850 | N | A | -3.2131 | |
| 851 | K | A | -2.6545 | |
| 852 | V | A | 0.0000 | |
| 853 | K | A | -3.1471 | |
| 854 | S | A | -1.8494 | |
| 855 | V | A | 0.0000 | |
| 856 | I | A | -1.1797 | |
| 857 | P | A | -0.8039 | |
| 858 | M | A | -0.6390 | |
| 859 | V | A | 0.0000 | |
| 860 | R | A | -1.3120 | |
| 861 | R | A | -2.5049 | |
| 862 | T | A | -1.9267 | |
| 863 | H | A | -2.0191 | |
| 864 | S | A | -1.4422 | |
| 865 | G | A | -1.0183 | |
| 866 | I | A | -0.1294 | |
| 867 | Q | A | -0.5730 | |
| 868 | F | A | 0.8098 | |
| 869 | G | A | -0.2215 | |
| 870 | G | A | -0.2957 | |
| 871 | S | A | -0.4228 | |
| 872 | G | A | -0.3088 | |
| 873 | V | A | 0.9726 | |
| 874 | E | A | -0.0970 | |
| 875 | M | A | 1.0221 | |
| 876 | V | A | 0.8574 | |
| 877 | S | A | -0.9246 | |
| 878 | K | A | -2.5867 | |
| 879 | G | A | -2.3975 | |
| 880 | E | A | -3.5482 | |
| 881 | E | A | -4.0014 | |
| 882 | D | A | -3.4903 | |
| 883 | N | A | -2.1402 | |
| 884 | M | A | -1.7229 | |
| 885 | A | A | -1.4203 | |
| 886 | I | A | -0.5766 | |
| 887 | I | A | 0.0000 | |
| 888 | K | A | -2.2697 | |
| 889 | E | A | -2.3246 | |
| 890 | F | A | -1.1482 | |
| 891 | M | A | 0.0000 | |
| 892 | R | A | -3.2065 | |
| 893 | F | A | 0.0000 | |
| 894 | K | A | -3.3888 | |
| 895 | V | A | 0.0000 | |
| 896 | H | A | -2.5068 | |
| 897 | M | A | 0.0000 | |
| 898 | E | A | -3.2034 | |
| 899 | G | A | 0.0000 | |
| 900 | S | A | -2.5210 | |
| 901 | V | A | 0.0000 | |
| 902 | N | A | -1.6924 | |
| 903 | G | A | -1.7614 | |
| 904 | H | A | -1.9179 | |
| 905 | E | A | -3.1579 | |
| 906 | F | A | 0.0000 | |
| 907 | E | A | -2.8828 | |
| 908 | I | A | 0.0000 | |
| 909 | E | A | -3.0818 | |
| 910 | G | A | 0.0000 | |
| 911 | E | A | -3.7016 | |
| 912 | G | A | 0.0000 | |
| 913 | E | A | -2.4964 | |
| 914 | G | A | 0.0000 | |
| 915 | R | A | -2.5113 | |
| 916 | P | A | 0.0000 | |
| 917 | Y | A | -1.5257 | |
| 918 | E | A | -2.4457 | |
| 919 | G | A | 0.0000 | |
| 920 | T | A | -1.1087 | |
| 921 | Q | A | 0.0000 | |
| 922 | T | A | -1.3017 | |
| 923 | A | A | 0.0000 | |
| 924 | K | A | -2.3556 | |
| 925 | L | A | 0.0000 | |
| 926 | K | A | -2.0617 | |
| 927 | V | A | 0.0000 | |
| 928 | T | A | -1.8506 | |
| 929 | K | A | -2.9290 | |
| 930 | G | A | -1.9880 | |
| 931 | G | A | -1.6256 | |
| 932 | P | A | -1.0866 | |
| 933 | L | A | 0.0000 | |
| 934 | P | A | -0.7376 | |
| 935 | F | A | 0.0000 | |
| 936 | A | A | 0.0000 | |
| 937 | W | A | 0.0000 | |
| 938 | D | A | 0.0000 | |
| 939 | I | A | 0.0000 | |
| 940 | L | A | 0.0000 | |
| 941 | S | A | 0.0000 | |
| 942 | P | A | 0.0000 | |
| 943 | Q | A | 0.0000 | |
| 944 | F | A | 0.0000 | |
| 945 | M | A | 0.0000 | |
| 946 | Y | A | 0.0000 | |
| 947 | G | A | 0.0000 | |
| 948 | S | A | 0.0000 | |
| 949 | K | A | 0.0000 | |
| 950 | A | A | 0.0000 | |
| 951 | Y | A | 0.0000 | |
| 952 | V | A | 0.0000 | |
| 953 | K | A | -1.6045 | |
| 954 | H | A | -1.1543 | |
| 955 | P | A | -0.9180 | |
| 956 | A | A | -1.0003 | |
| 957 | D | A | -1.9150 | |
| 958 | I | A | 0.0000 | |
| 959 | P | A | -1.0291 | |
| 960 | D | A | -0.7237 | |
| 961 | Y | A | 0.0000 | |
| 962 | L | A | 0.0000 | |
| 963 | K | A | 0.0000 | |
| 964 | L | A | -0.8823 | |
| 965 | S | A | 0.0000 | |
| 966 | F | A | 0.0000 | |
| 967 | P | A | -0.8845 | |
| 968 | E | A | -1.6242 | |
| 969 | G | A | 0.0000 | |
| 970 | F | A | 0.0000 | |
| 971 | K | A | -1.9861 | |
| 972 | W | A | 0.0000 | |
| 973 | E | A | -2.2868 | |
| 974 | R | A | 0.0000 | |
| 975 | V | A | -0.7187 | |
| 976 | M | A | 0.0000 | |
| 977 | N | A | -1.4873 | |
| 978 | F | A | 0.0000 | |
| 979 | E | A | -2.6300 | |
| 980 | D | A | -1.9319 | |
| 981 | G | A | -1.3018 | |
| 982 | G | A | 0.0000 | |
| 983 | V | A | -0.7624 | |
| 984 | V | A | 0.0000 | |
| 985 | T | A | -1.1090 | |
| 986 | V | A | 0.0000 | |
| 987 | T | A | -2.0559 | |
| 988 | Q | A | 0.0000 | |
| 989 | D | A | -2.3246 | |
| 990 | S | A | 0.0000 | |
| 991 | S | A | -1.2507 | |
| 992 | L | A | -1.2738 | |
| 993 | Q | A | -2.5464 | |
| 994 | D | A | -2.6901 | |
| 995 | G | A | -2.3564 | |
| 996 | E | A | -2.6867 | |
| 997 | F | A | 0.0000 | |
| 998 | I | A | -1.8919 | |
| 999 | Y | A | 0.0000 | |
| 1000 | K | A | -2.8524 | |
| 1001 | V | A | 0.0000 | |
| 1002 | K | A | -3.2697 | |
| 1003 | L | A | 0.0000 | |
| 1004 | R | A | -2.7450 | |
| 1005 | G | A | 0.0000 | |
| 1006 | T | A | -0.9948 | |
| 1007 | N | A | -0.8353 | |
| 1008 | F | A | 0.0000 | |
| 1009 | P | A | -1.2107 | |
| 1010 | S | A | -1.3748 | |
| 1011 | D | A | -2.2237 | |
| 1012 | G | A | -1.6034 | |
| 1013 | P | A | -1.5613 | |
| 1014 | V | A | 0.0000 | |
| 1015 | M | A | -1.2904 | |
| 1016 | Q | A | -1.9972 | |
| 1017 | K | A | -1.9578 | |
| 1018 | K | A | -2.1279 | |
| 1019 | T | A | -1.2113 | |
| 1020 | M | A | -0.2244 | |
| 1021 | G | A | -0.3997 | |
| 1022 | W | A | 0.0000 | |
| 1023 | E | A | -0.8416 | |
| 1024 | A | A | -0.5919 | |
| 1025 | S | A | 0.0000 | |
| 1026 | S | A | 0.0000 | |
| 1027 | E | A | 0.0000 | |
| 1028 | R | A | -0.7254 | |
| 1029 | M | A | 0.0000 | |
| 1030 | Y | A | 0.0000 | |
| 1031 | P | A | -0.9933 | |
| 1032 | E | A | -1.5077 | |
| 1033 | D | A | -2.1217 | |
| 1034 | G | A | -0.9859 | |
| 1035 | A | A | 0.0000 | |
| 1036 | L | A | 0.0000 | |
| 1037 | K | A | -1.3032 | |
| 1038 | G | A | 0.0000 | |
| 1039 | E | A | -1.1989 | |
| 1040 | I | A | 0.0000 | |
| 1041 | K | A | -1.4080 | |
| 1042 | Q | A | 0.0000 | |
| 1043 | R | A | -1.1136 | |
| 1044 | L | A | 0.0000 | |
| 1045 | K | A | -1.4726 | |
| 1046 | L | A | -1.9346 | |
| 1047 | K | A | -2.9524 | |
| 1048 | D | A | -3.0028 | |
| 1049 | G | A | -2.1832 | |
| 1050 | G | A | -1.6928 | |
| 1051 | H | A | -1.3375 | |
| 1052 | Y | A | 0.0000 | |
| 1053 | D | A | -1.7605 | |
| 1054 | A | A | 0.0000 | |
| 1055 | E | A | -2.4883 | |
| 1056 | V | A | 0.0000 | |
| 1057 | K | A | -1.7853 | |
| 1058 | T | A | 0.0000 | |
| 1059 | T | A | -1.3725 | |
| 1060 | Y | A | 0.0000 | |
| 1061 | K | A | -1.3869 | |
| 1062 | A | A | 0.0000 | |
| 1063 | K | A | -1.2788 | |
| 1064 | K | A | -0.8594 | |
| 1065 | P | A | -0.3530 | |
| 1066 | V | A | -0.3525 | |
| 1067 | Q | A | -0.5761 | |
| 1068 | L | A | -0.5577 | |
| 1069 | P | A | 0.0000 | |
| 1070 | G | A | -0.6659 | |
| 1071 | A | A | -0.4599 | |
| 1072 | Y | A | 0.0000 | |
| 1073 | N | A | -0.5231 | |
| 1074 | V | A | 0.0000 | |
| 1075 | N | A | 0.0000 | |
| 1076 | I | A | 0.0000 | |
| 1077 | K | A | -0.7298 | |
| 1078 | L | A | 0.0000 | |
| 1079 | D | A | -1.6897 | |
| 1080 | I | A | -0.5376 | |
| 1081 | T | A | -0.7463 | |
| 1082 | S | A | -1.0053 | |
| 1083 | H | A | -1.5029 | |
| 1084 | N | A | -1.6242 | |
| 1085 | E | A | -2.4418 | |
| 1086 | D | A | -1.8946 | |
| 1087 | Y | A | -0.9528 | |
| 1088 | T | A | -0.9404 | |
| 1089 | I | A | -0.8265 | |
| 1090 | V | A | 0.0000 | |
| 1091 | E | A | -1.5035 | |
| 1092 | Q | A | 0.0000 | |
| 1093 | Y | A | -0.5018 | |
| 1094 | E | A | 0.0000 | |
| 1095 | R | A | -1.1783 | |
| 1096 | A | A | 0.0000 | |
| 1097 | E | A | -1.0945 | |
| 1098 | G | A | 0.0000 | |
| 1099 | R | A | 0.0000 | |
| 1100 | H | A | -1.0292 | |
| 1101 | S | A | -0.5802 | |
| 1102 | T | A | -0.2573 | |
| 1103 | G | A | -0.8650 | |
| 1104 | G | A | -1.0771 | |
| 1105 | M | A | -1.0525 | |
| 1106 | D | A | -2.4028 | |
| 1107 | E | A | -2.7260 | |
| 1108 | L | A | 0.0000 | |
| 1109 | Y | A | -0.7049 | |
| 1110 | K | A | -2.3899 | |
| 1111 | G | A | -1.6198 | |
| 1112 | G | A | -0.8389 | |
| 1113 | S | A | -0.7260 | |
| 1114 | G | A | -0.8929 | |
| 1115 | V | A | 0.0894 | |
| 1116 | E | A | -2.0683 | |
| 1117 | H | A | -2.3791 | |
| 1118 | H | A | -2.7322 | |
| 1119 | H | A | -2.9671 | |
| 1120 | H | A | -2.7137 | |
| 1121 | H | A | -2.4015 | |
| 1122 | H | A | -1.9245 |
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 | -0.7733 | 5.4165 | View | CSV | PDB |
| 4.5 | -0.8354 | 5.3955 | View | CSV | PDB |
| 5.0 | -0.9126 | 5.3733 | View | CSV | PDB |
| 5.5 | -0.9877 | 5.3532 | View | CSV | PDB |
| 6.0 | -1.0424 | 5.3386 | View | CSV | PDB |
| 6.5 | -1.0638 | 5.3308 | View | CSV | PDB |
| 7.0 | -1.0523 | 5.3276 | View | CSV | PDB |
| 7.5 | -1.0198 | 5.3265 | View | CSV | PDB |
| 8.0 | -0.9771 | 5.3262 | View | CSV | PDB |
| 8.5 | -0.9284 | 5.3261 | View | CSV | PDB |
| 9.0 | -0.8745 | 5.326 | 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