| Chain sequence(s) |
A: MRALTLKDILNGTFSYKTFFPNWISGQEYLHQSADNNIVLYNIETGQSYTILSNRTMKSVNASNYGLSPDRQFVYLESDYSKLWRYSYTATYYIYDLSNGEFVRGNELPRPIQYLCWSPVGSKLAYVYQNNIYLKQRPGDPPFQITFNGRENKIFNGIPDWVYEEEMLATKYALWWSPNGKFLAYAEFNDTDIPVIAYSYYGDEQYPRTINIPYPKAGAKNPVVRIFIIDTTYPAYVGPQEVPVPAMIASSDYYFSWLTWVTDERVCLQWLKRVQNVSVLSICDFREDWQTWDCPKTQEHIEESRTGWAGGFFVSTPVFSYDAISYYKIFSDKDGYKHIHYIKDTVENAIQITSGKWEAINIFRVTQDSLFYSSNEFEEYPGRRNIYRISIGSYPPSKKCVTCHLRKERCQYYTASFSDYAKYYALVCYGPGIPISTLHDGRTDQEIKILEENKELENALKNIQLPKEEIKKLEVDEITLWYKMILPPQFDRSKKYPLLIQVYGGPCSQSVRSVFAVNWISYLASKEGMVIALVDGRGTAFQGDKLLYAVYRKLGVYEVEDQITAVRKFIEMGFIDEKRIAIWGWSYGGYVSSLALASGTGLFKCGIAVAPVSSWEYYASVYTERFMGLPTKDDNLEHYKNSTVMARAEYFRNVDYLLIHGTADDNVHFQNSAQIAKALVNAQVDFQAMWYSDQNHGLSGLSTNHLYTHMTHFLKQCFS
B: MRALTLKDILNGTFSYKTFFPNWISGQEYLHQSADNNIVLYNIETGQSYTILSNRTMKSVNASNYGLSPDRQFVYLESDYSKLWRYSYTATYYIYDLSNGEFVRGNELPRPIQYLCWSPVGSKLAYVYQNNIYLKQRPGDPPFQITFNGRENKIFNGIPDWVYEEEMLATKYALWWSPNGKFLAYAEFNDTDIPVIAYSYYGDEQYPRTINIPYPKAGAKNPVVRIFIIDTTYPAYVGPQEVPVPAMIASSDYYFSWLTWVTDERVCLQWLKRVQNVSVLSICDFREDWQTWDCPKTQEHIEESRTGWAGGFFVSTPVFSYDAISYYKIFSDKDGYKHIHYIKDTVENAIQITSGKWEAINIFRVTQDSLFYSSNEFEEYPGRRNIYRISIGSYPPSKKCVTCHLRKERCQYYTASFSDYAKYYALVCYGPGIPISTLHDGRTDQEIKILEENKELENALKNIQLPKEEIKKLEVDEITLWYKMILPPQFDRSKKYPLLIQVYGGPCSQSVRSVFAVNWISYLASKEGMVIALVDGRGTAFQGDKLLYAVYRKLGVYEVEDQITAVRKFIEMGFIDEKRIAIWGWSYGGYVSSLALASGTGLFKCGIAVAPVSSWEYYASVYTERFMGLPTKDDNLEHYKNSTVMARAEYFRNVDYLLIHGTADDNVHFQNSAQIAKALVNAQVDFQAMWYSDQNHGLSGLSTNHLYTHMTHFLKQCFS input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:08)
[INFO] FoldX: Starting FoldX energy minimization (00:00:08)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:25:33)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e21efae553ab1c6/tmp/folded.pdb (00:25:33)
[INFO] Main: Simulation completed successfully. (00:35:11)
|
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 |
|---|---|---|---|---|
| 39 | M | A | -0.1651 | |
| 40 | R | A | -1.1365 | |
| 41 | A | A | -0.9997 | |
| 42 | L | A | 0.0000 | |
| 43 | T | A | -0.8139 | |
| 44 | L | A | -1.0021 | |
| 45 | K | A | -1.9304 | |
| 46 | D | A | -1.3095 | |
| 47 | I | A | -0.9537 | |
| 48 | L | A | -1.0209 | |
| 49 | N | A | -1.7737 | |
| 50 | G | A | -1.2523 | |
| 51 | T | A | -0.7792 | |
| 52 | F | A | 0.0000 | |
| 53 | S | A | -0.6644 | |
| 54 | Y | A | -1.1918 | |
| 55 | K | A | -1.6530 | |
| 56 | T | A | -0.5637 | |
| 57 | F | A | 0.2115 | |
| 58 | F | A | 1.0792 | |
| 59 | P | A | 0.0000 | |
| 60 | N | A | -0.4052 | |
| 61 | W | A | -0.0011 | |
| 62 | I | A | 0.2313 | |
| 63 | S | A | -0.2530 | |
| 64 | G | A | 0.0000 | |
| 65 | Q | A | -0.7969 | |
| 66 | E | A | 0.0000 | |
| 67 | Y | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | H | A | -0.5757 | |
| 70 | Q | A | -1.5564 | |
| 71 | S | A | -1.2938 | |
| 72 | A | A | -1.3004 | |
| 73 | D | A | -2.3895 | |
| 74 | N | A | -2.4845 | |
| 75 | N | A | -1.5853 | |
| 76 | I | A | 0.0000 | |
| 77 | V | A | 0.1841 | |
| 78 | L | A | 0.0000 | |
| 79 | Y | A | -0.1459 | |
| 80 | N | A | -0.8979 | |
| 81 | I | A | -1.0859 | |
| 82 | E | A | -2.1135 | |
| 83 | T | A | -1.5322 | |
| 84 | G | A | -1.5540 | |
| 85 | Q | A | -1.4573 | |
| 86 | S | A | -0.1404 | |
| 87 | Y | A | 0.8441 | |
| 88 | T | A | 0.5054 | |
| 89 | I | A | 0.5919 | |
| 90 | L | A | 0.0000 | |
| 91 | S | A | -1.3254 | |
| 92 | N | A | -2.4684 | |
| 93 | R | A | -2.8650 | |
| 94 | T | A | -1.9349 | |
| 95 | M | A | 0.0000 | |
| 96 | K | A | -3.0487 | |
| 97 | S | A | -1.7954 | |
| 98 | V | A | -1.3165 | |
| 99 | N | A | -2.4630 | |
| 100 | A | A | 0.0000 | |
| 101 | S | A | -1.1869 | |
| 102 | N | A | -0.8242 | |
| 103 | Y | A | -0.0985 | |
| 104 | G | A | 0.0973 | |
| 105 | L | A | -0.2046 | |
| 106 | S | A | 0.0000 | |
| 107 | P | A | -0.8473 | |
| 108 | D | A | -2.1634 | |
| 109 | R | A | -1.8368 | |
| 110 | Q | A | -1.8421 | |
| 111 | F | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | Y | A | 0.4373 | |
| 114 | L | A | 0.0000 | |
| 115 | E | A | 0.0000 | |
| 116 | S | A | 0.0000 | |
| 117 | D | A | -2.1060 | |
| 118 | Y | A | -0.5852 | |
| 119 | S | A | -0.7962 | |
| 120 | K | A | -1.0973 | |
| 121 | L | A | 0.5118 | |
| 122 | W | A | 0.0836 | |
| 123 | R | A | -0.5204 | |
| 124 | Y | A | 0.3568 | |
| 125 | S | A | 0.2079 | |
| 126 | Y | A | 0.0340 | |
| 127 | T | A | -0.5746 | |
| 128 | A | A | 0.0000 | |
| 129 | T | A | 0.0000 | |
| 130 | Y | A | -0.3986 | |
| 131 | Y | A | 0.3849 | |
| 132 | I | A | 0.0000 | |
| 133 | Y | A | -0.2791 | |
| 134 | D | A | -1.1129 | |
| 135 | L | A | -0.7817 | |
| 136 | S | A | -1.2973 | |
| 137 | N | A | -1.8354 | |
| 138 | G | A | -1.4483 | |
| 139 | E | A | -1.6993 | |
| 140 | F | A | -0.4844 | |
| 141 | V | A | -1.1266 | |
| 142 | R | A | -2.5882 | |
| 143 | G | A | -2.2890 | |
| 144 | N | A | -2.3919 | |
| 145 | E | A | -2.7531 | |
| 146 | L | A | -1.2175 | |
| 147 | P | A | -1.4962 | |
| 148 | R | A | -2.4979 | |
| 149 | P | A | -1.6664 | |
| 150 | I | A | 0.0000 | |
| 151 | Q | A | -0.4276 | |
| 152 | Y | A | 0.1841 | |
| 153 | L | A | 0.0000 | |
| 154 | C | A | 0.2025 | |
| 155 | W | A | 0.3421 | |
| 156 | S | A | 0.0000 | |
| 157 | P | A | 0.0030 | |
| 158 | V | A | 0.7648 | |
| 159 | G | A | -0.5731 | |
| 160 | S | A | -1.0590 | |
| 161 | K | A | -0.9270 | |
| 162 | L | A | 0.0000 | |
| 163 | A | A | 0.0000 | |
| 164 | Y | A | 0.0000 | |
| 165 | V | A | 0.0000 | |
| 166 | Y | A | -0.7934 | |
| 167 | Q | A | -2.0386 | |
| 168 | N | A | 0.0000 | |
| 169 | N | A | -0.4734 | |
| 170 | I | A | 0.0000 | |
| 171 | Y | A | 0.2401 | |
| 172 | L | A | 0.0000 | |
| 173 | K | A | 0.0000 | |
| 174 | Q | A | -2.2703 | |
| 175 | R | A | -3.0300 | |
| 176 | P | A | 0.0000 | |
| 177 | G | A | -2.7583 | |
| 178 | D | A | -3.0680 | |
| 179 | P | A | -1.7201 | |
| 180 | P | A | -0.6962 | |
| 181 | F | A | 0.3414 | |
| 182 | Q | A | 0.3606 | |
| 183 | I | A | 0.0000 | |
| 184 | T | A | 0.0000 | |
| 185 | F | A | 1.0034 | |
| 186 | N | A | -0.8742 | |
| 187 | G | A | -1.8600 | |
| 188 | R | A | -3.2868 | |
| 189 | E | A | -3.6671 | |
| 190 | N | A | -3.1103 | |
| 191 | K | A | -3.2293 | |
| 192 | I | A | 0.0000 | |
| 193 | F | A | -1.5447 | |
| 194 | N | A | 0.0000 | |
| 195 | G | A | 0.0000 | |
| 196 | I | A | 0.0000 | |
| 197 | P | A | 0.0000 | |
| 198 | D | A | 0.0000 | |
| 199 | W | A | 0.0000 | |
| 200 | V | A | 0.0000 | |
| 201 | Y | A | 0.0000 | |
| 202 | E | A | 0.0000 | |
| 203 | E | A | -0.2307 | |
| 204 | E | A | 0.0000 | |
| 205 | M | A | 0.4876 | |
| 206 | L | A | 0.0000 | |
| 207 | A | A | 0.1045 | |
| 208 | T | A | 0.0561 | |
| 209 | K | A | 0.0904 | |
| 210 | Y | A | 0.3115 | |
| 211 | A | A | 0.0000 | |
| 212 | L | A | 0.0000 | |
| 213 | W | A | 0.0000 | |
| 214 | W | A | -0.0951 | |
| 215 | S | A | 0.0000 | |
| 216 | P | A | -0.8083 | |
| 217 | N | A | -1.1884 | |
| 218 | G | A | 0.0000 | |
| 219 | K | A | -1.3147 | |
| 220 | F | A | 0.0000 | |
| 221 | L | A | 0.0000 | |
| 222 | A | A | 0.0000 | |
| 223 | Y | A | 0.0000 | |
| 224 | A | A | 0.0000 | |
| 225 | E | A | -0.6113 | |
| 226 | F | A | 0.0000 | |
| 227 | N | A | -1.2141 | |
| 228 | D | A | 0.0000 | |
| 229 | T | A | -1.5096 | |
| 230 | D | A | -2.1068 | |
| 231 | I | A | 0.0000 | |
| 232 | P | A | -0.2140 | |
| 233 | V | A | 0.7202 | |
| 234 | I | A | 0.0000 | |
| 235 | A | A | -0.5045 | |
| 236 | Y | A | 0.0000 | |
| 237 | S | A | -0.4651 | |
| 238 | Y | A | -0.5645 | |
| 239 | Y | A | -1.1121 | |
| 240 | G | A | -1.7430 | |
| 241 | D | A | -2.7157 | |
| 242 | E | A | -3.1003 | |
| 243 | Q | A | -1.8976 | |
| 244 | Y | A | -1.0550 | |
| 245 | P | A | -1.2470 | |
| 246 | R | A | -1.8235 | |
| 247 | T | A | -0.8945 | |
| 248 | I | A | -0.3878 | |
| 249 | N | A | -0.9947 | |
| 250 | I | A | 0.0000 | |
| 251 | P | A | -0.3836 | |
| 252 | Y | A | 0.0000 | |
| 253 | P | A | 0.0000 | |
| 254 | K | A | 0.0000 | |
| 255 | A | A | 0.0000 | |
| 256 | G | A | -0.7415 | |
| 257 | A | A | -1.0359 | |
| 258 | K | A | -2.0442 | |
| 259 | N | A | -1.3152 | |
| 260 | P | A | -0.5653 | |
| 261 | V | A | 0.0646 | |
| 262 | V | A | 0.0000 | |
| 263 | R | A | -0.7843 | |
| 264 | I | A | 0.0000 | |
| 265 | F | A | -0.6234 | |
| 266 | I | A | 0.0000 | |
| 267 | I | A | 0.0000 | |
| 268 | D | A | -0.0127 | |
| 269 | T | A | 0.0000 | |
| 270 | T | A | 0.3132 | |
| 271 | Y | A | 1.7574 | |
| 272 | P | A | 1.2253 | |
| 273 | A | A | 1.5792 | |
| 274 | Y | A | 2.3978 | |
| 275 | V | A | 2.4438 | |
| 276 | G | A | 0.9601 | |
| 277 | P | A | -0.1192 | |
| 278 | Q | A | -0.8400 | |
| 279 | E | A | -1.5826 | |
| 280 | V | A | 0.0000 | |
| 281 | P | A | -0.5160 | |
| 282 | V | A | 0.1311 | |
| 283 | P | A | -0.0617 | |
| 284 | A | A | 0.0450 | |
| 285 | M | A | 0.2562 | |
| 286 | I | A | 0.0000 | |
| 287 | A | A | -0.2714 | |
| 288 | S | A | -0.6122 | |
| 289 | S | A | -1.0265 | |
| 290 | D | A | -1.8276 | |
| 291 | Y | A | -0.6489 | |
| 292 | Y | A | 0.0000 | |
| 293 | F | A | 0.0000 | |
| 294 | S | A | 0.0000 | |
| 295 | W | A | 0.2731 | |
| 296 | L | A | 0.0000 | |
| 297 | T | A | 0.2172 | |
| 298 | W | A | -0.1107 | |
| 299 | V | A | 0.1166 | |
| 300 | T | A | -1.2107 | |
| 301 | D | A | -1.7692 | |
| 302 | E | A | -2.4697 | |
| 303 | R | A | -1.4392 | |
| 304 | V | A | 0.0000 | |
| 305 | C | A | 0.0000 | |
| 306 | L | A | 0.0000 | |
| 307 | Q | A | 0.0000 | |
| 308 | W | A | 0.0000 | |
| 309 | L | A | 0.0000 | |
| 310 | K | A | -0.3413 | |
| 311 | R | A | -0.1160 | |
| 312 | V | A | 1.2701 | |
| 313 | Q | A | 0.0000 | |
| 314 | N | A | -0.5528 | |
| 315 | V | A | -0.3100 | |
| 316 | S | A | 0.0000 | |
| 317 | V | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | S | A | 0.0000 | |
| 320 | I | A | -0.5436 | |
| 321 | C | A | 0.0000 | |
| 322 | D | A | -1.6289 | |
| 323 | F | A | -1.9951 | |
| 324 | R | A | -2.5001 | |
| 325 | E | A | -2.9689 | |
| 326 | D | A | -2.4261 | |
| 327 | W | A | -0.4657 | |
| 328 | Q | A | -0.9127 | |
| 329 | T | A | -1.1330 | |
| 330 | W | A | 0.0000 | |
| 331 | D | A | -1.5732 | |
| 332 | C | A | -1.0373 | |
| 333 | P | A | -1.4899 | |
| 334 | K | A | -2.1235 | |
| 335 | T | A | -1.4949 | |
| 336 | Q | A | -1.5528 | |
| 337 | E | A | -0.9925 | |
| 338 | H | A | 0.0000 | |
| 339 | I | A | 0.2958 | |
| 340 | E | A | -0.5035 | |
| 341 | E | A | -1.5518 | |
| 342 | S | A | -1.5705 | |
| 343 | R | A | -2.2257 | |
| 344 | T | A | -1.3094 | |
| 345 | G | A | 0.0000 | |
| 346 | W | A | 0.0000 | |
| 347 | A | A | 0.0000 | |
| 348 | G | A | 0.3329 | |
| 349 | G | A | 0.9347 | |
| 350 | F | A | 1.7439 | |
| 351 | F | A | 1.6849 | |
| 352 | V | A | 0.9741 | |
| 353 | S | A | 0.4175 | |
| 354 | T | A | 0.1542 | |
| 355 | P | A | 0.0000 | |
| 356 | V | A | 0.4318 | |
| 357 | F | A | 0.8062 | |
| 358 | S | A | 0.2317 | |
| 359 | Y | A | 0.3078 | |
| 360 | D | A | -0.6134 | |
| 361 | A | A | 0.4724 | |
| 362 | I | A | 1.0667 | |
| 363 | S | A | 0.0000 | |
| 364 | Y | A | 0.0000 | |
| 365 | Y | A | 0.0000 | |
| 366 | K | A | 0.0000 | |
| 367 | I | A | 0.0000 | |
| 368 | F | A | 0.1174 | |
| 369 | S | A | -0.9339 | |
| 370 | D | A | -2.0063 | |
| 371 | K | A | -2.7959 | |
| 372 | D | A | -3.2773 | |
| 373 | G | A | -2.2289 | |
| 374 | Y | A | -1.5875 | |
| 375 | K | A | -0.8322 | |
| 376 | H | A | 0.0000 | |
| 377 | I | A | 0.0000 | |
| 378 | H | A | 0.0000 | |
| 379 | Y | A | -0.0547 | |
| 380 | I | A | 0.0000 | |
| 381 | K | A | -1.9865 | |
| 382 | D | A | -2.7696 | |
| 383 | T | A | -1.9111 | |
| 384 | V | A | -0.8813 | |
| 385 | E | A | -2.0573 | |
| 386 | N | A | -2.2989 | |
| 387 | A | A | -0.8952 | |
| 388 | I | A | 0.4035 | |
| 389 | Q | A | -0.2484 | |
| 390 | I | A | 0.6477 | |
| 391 | T | A | 0.0000 | |
| 392 | S | A | -0.9301 | |
| 393 | G | A | -1.4029 | |
| 394 | K | A | -2.3907 | |
| 395 | W | A | -1.4365 | |
| 396 | E | A | 0.0000 | |
| 397 | A | A | 0.0000 | |
| 398 | I | A | -0.0719 | |
| 399 | N | A | -0.9220 | |
| 400 | I | A | -0.2466 | |
| 401 | F | A | -0.1260 | |
| 402 | R | A | -0.4811 | |
| 403 | V | A | -0.2020 | |
| 404 | T | A | -0.6464 | |
| 405 | Q | A | -1.7496 | |
| 406 | D | A | -2.2104 | |
| 407 | S | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | F | A | 0.0000 | |
| 410 | Y | A | 0.0000 | |
| 411 | S | A | 0.0000 | |
| 412 | S | A | 0.0000 | |
| 413 | N | A | -1.1124 | |
| 414 | E | A | -1.8353 | |
| 415 | F | A | -1.4151 | |
| 416 | E | A | -2.6672 | |
| 417 | E | A | -2.9268 | |
| 418 | Y | A | -1.5836 | |
| 419 | P | A | 0.0000 | |
| 420 | G | A | 0.0000 | |
| 421 | R | A | -0.8037 | |
| 422 | R | A | 0.0000 | |
| 423 | N | A | 0.0000 | |
| 424 | I | A | 0.0000 | |
| 425 | Y | A | 0.0000 | |
| 426 | R | A | -1.0330 | |
| 427 | I | A | 0.0000 | |
| 428 | S | A | -1.2121 | |
| 429 | I | A | -0.8774 | |
| 430 | G | A | -0.8333 | |
| 431 | S | A | -0.2009 | |
| 432 | Y | A | 0.9542 | |
| 433 | P | A | 0.1330 | |
| 434 | P | A | -0.4238 | |
| 435 | S | A | -1.0654 | |
| 436 | K | A | -1.8097 | |
| 437 | K | A | -1.8817 | |
| 438 | C | A | -0.6756 | |
| 439 | V | A | -0.3841 | |
| 440 | T | A | 0.0000 | |
| 441 | C | A | 0.0000 | |
| 442 | H | A | -1.4676 | |
| 443 | L | A | -0.8014 | |
| 444 | R | A | -2.2251 | |
| 445 | K | A | -3.3050 | |
| 446 | E | A | -3.5251 | |
| 447 | R | A | -2.9249 | |
| 448 | C | A | 0.0000 | |
| 449 | Q | A | 0.0000 | |
| 450 | Y | A | -0.0286 | |
| 451 | Y | A | 0.0000 | |
| 452 | T | A | 0.0887 | |
| 453 | A | A | 0.0000 | |
| 454 | S | A | 0.2153 | |
| 455 | F | A | 0.0309 | |
| 456 | S | A | -0.5947 | |
| 457 | D | A | -0.9099 | |
| 458 | Y | A | 0.1124 | |
| 459 | A | A | 0.0000 | |
| 460 | K | A | -1.1348 | |
| 461 | Y | A | -0.7298 | |
| 462 | Y | A | 0.0000 | |
| 463 | A | A | 0.0000 | |
| 464 | L | A | 0.0000 | |
| 465 | V | A | 0.0000 | |
| 466 | C | A | 0.0000 | |
| 467 | Y | A | 0.2501 | |
| 468 | G | A | 0.0000 | |
| 469 | P | A | -0.9622 | |
| 470 | G | A | -1.0313 | |
| 471 | I | A | -0.7181 | |
| 472 | P | A | 0.0000 | |
| 473 | I | A | -0.6817 | |
| 474 | S | A | 0.0000 | |
| 475 | T | A | 0.0000 | |
| 476 | L | A | 0.0000 | |
| 477 | H | A | 0.0000 | |
| 478 | D | A | -1.5485 | |
| 479 | G | A | 0.0000 | |
| 480 | R | A | -2.4029 | |
| 481 | T | A | -1.6493 | |
| 482 | D | A | -1.5907 | |
| 483 | Q | A | -1.9109 | |
| 484 | E | A | -0.9347 | |
| 485 | I | A | 0.0126 | |
| 486 | K | A | -0.2165 | |
| 487 | I | A | 0.1357 | |
| 488 | L | A | 0.1219 | |
| 489 | E | A | -1.5024 | |
| 490 | E | A | -2.7116 | |
| 491 | N | A | 0.0000 | |
| 492 | K | A | -3.5207 | |
| 493 | E | A | -3.3811 | |
| 494 | L | A | 0.0000 | |
| 495 | E | A | -3.1867 | |
| 496 | N | A | -3.1041 | |
| 497 | A | A | -2.1169 | |
| 498 | L | A | -2.0502 | |
| 499 | K | A | -2.6728 | |
| 500 | N | A | -2.1173 | |
| 501 | I | A | -1.0352 | |
| 502 | Q | A | -1.2951 | |
| 503 | L | A | -0.8919 | |
| 504 | P | A | 0.0000 | |
| 505 | K | A | -2.4475 | |
| 506 | E | A | -2.8248 | |
| 507 | E | A | -2.4718 | |
| 508 | I | A | -1.4745 | |
| 509 | K | A | -1.9600 | |
| 510 | K | A | -1.8160 | |
| 511 | L | A | -1.7835 | |
| 512 | E | A | -2.5815 | |
| 513 | V | A | -2.1046 | |
| 514 | D | A | -2.8568 | |
| 515 | E | A | -2.9016 | |
| 516 | I | A | -1.6307 | |
| 517 | T | A | -1.3720 | |
| 518 | L | A | 0.0000 | |
| 519 | W | A | -0.7183 | |
| 520 | Y | A | 0.0000 | |
| 521 | K | A | -1.2874 | |
| 522 | M | A | 0.0000 | |
| 523 | I | A | 0.0000 | |
| 524 | L | A | -1.1106 | |
| 525 | P | A | 0.0000 | |
| 526 | P | A | -1.2798 | |
| 527 | Q | A | -1.6830 | |
| 528 | F | A | -1.9302 | |
| 529 | D | A | -3.5101 | |
| 530 | R | A | -3.5999 | |
| 531 | S | A | -2.8636 | |
| 532 | K | A | -3.6433 | |
| 533 | K | A | -3.4509 | |
| 534 | Y | A | -1.9100 | |
| 535 | P | A | -1.1348 | |
| 536 | L | A | 0.0000 | |
| 537 | L | A | 0.0000 | |
| 538 | I | A | 0.0000 | |
| 539 | Q | A | 0.0703 | |
| 540 | V | A | 0.0000 | |
| 541 | Y | A | 0.5371 | |
| 542 | G | A | 0.2026 | |
| 543 | G | A | 0.0817 | |
| 544 | P | A | 0.0000 | |
| 545 | C | A | 0.6180 | |
| 546 | S | A | 0.2959 | |
| 547 | Q | A | 0.0000 | |
| 548 | S | A | -0.1196 | |
| 549 | V | A | 0.0000 | |
| 550 | R | A | -0.4751 | |
| 551 | S | A | -0.3394 | |
| 552 | V | A | 0.5208 | |
| 553 | F | A | 0.4858 | |
| 554 | A | A | 0.1955 | |
| 555 | V | A | -0.0940 | |
| 556 | N | A | -0.7732 | |
| 557 | W | A | 0.0000 | |
| 558 | I | A | -0.0911 | |
| 559 | S | A | 0.0000 | |
| 560 | Y | A | 0.0000 | |
| 561 | L | A | 0.0000 | |
| 562 | A | A | 0.0000 | |
| 563 | S | A | -1.3822 | |
| 564 | K | A | -2.1750 | |
| 565 | E | A | -1.6579 | |
| 566 | G | A | -1.0132 | |
| 567 | M | A | 0.0000 | |
| 568 | V | A | 0.0000 | |
| 569 | I | A | 0.0000 | |
| 570 | A | A | 0.0000 | |
| 571 | L | A | 0.0000 | |
| 572 | V | A | -0.0051 | |
| 573 | D | A | 0.0000 | |
| 574 | G | A | 0.0000 | |
| 575 | R | A | -0.5495 | |
| 576 | G | A | 0.0000 | |
| 577 | T | A | 0.0000 | |
| 578 | A | A | 0.0000 | |
| 579 | F | A | 0.3843 | |
| 580 | Q | A | -0.6688 | |
| 581 | G | A | -1.1076 | |
| 582 | D | A | -1.3691 | |
| 583 | K | A | -1.9261 | |
| 584 | L | A | -0.6909 | |
| 585 | L | A | -0.3130 | |
| 586 | Y | A | -0.4350 | |
| 587 | A | A | -0.4609 | |
| 588 | V | A | 0.0000 | |
| 589 | Y | A | -0.0398 | |
| 590 | R | A | -0.7257 | |
| 591 | K | A | -0.7907 | |
| 592 | L | A | 0.0000 | |
| 593 | G | A | -0.2214 | |
| 594 | V | A | 0.2002 | |
| 595 | Y | A | -0.1680 | |
| 596 | E | A | 0.0000 | |
| 597 | V | A | -0.3311 | |
| 598 | E | A | -1.3548 | |
| 599 | D | A | 0.0000 | |
| 600 | Q | A | 0.0000 | |
| 601 | I | A | -0.5952 | |
| 602 | T | A | -0.8037 | |
| 603 | A | A | 0.0000 | |
| 604 | V | A | 0.0000 | |
| 605 | R | A | -1.8933 | |
| 606 | K | A | -1.6712 | |
| 607 | F | A | 0.0000 | |
| 608 | I | A | -1.6667 | |
| 609 | E | A | -2.3467 | |
| 610 | M | A | -0.9947 | |
| 611 | G | A | -1.8677 | |
| 612 | F | A | 0.0000 | |
| 613 | I | A | 0.0000 | |
| 614 | D | A | 0.0000 | |
| 615 | E | A | -3.4127 | |
| 616 | K | A | -3.0299 | |
| 617 | R | A | -2.2847 | |
| 618 | I | A | 0.0000 | |
| 619 | A | A | 0.0000 | |
| 620 | I | A | 0.0000 | |
| 621 | W | A | 0.0000 | |
| 622 | G | A | 0.0000 | |
| 623 | W | A | 0.3363 | |
| 624 | S | A | 0.1427 | |
| 625 | Y | A | 0.0000 | |
| 626 | G | A | 0.0000 | |
| 627 | G | A | 0.0000 | |
| 628 | Y | A | 0.0000 | |
| 629 | V | A | 0.0000 | |
| 630 | S | A | 0.0000 | |
| 631 | S | A | 0.0000 | |
| 632 | L | A | 0.2077 | |
| 633 | A | A | 0.0000 | |
| 634 | L | A | 0.0000 | |
| 635 | A | A | 0.0000 | |
| 636 | S | A | -0.3954 | |
| 637 | G | A | -1.0188 | |
| 638 | T | A | -0.3505 | |
| 639 | G | A | -1.0578 | |
| 640 | L | A | -1.0914 | |
| 641 | F | A | 0.0000 | |
| 642 | K | A | -1.9693 | |
| 643 | C | A | 0.0000 | |
| 644 | G | A | 0.0000 | |
| 645 | I | A | 0.0000 | |
| 646 | A | A | 0.0000 | |
| 647 | V | A | 0.0000 | |
| 648 | A | A | 0.0000 | |
| 649 | P | A | 0.0000 | |
| 650 | V | A | 0.0000 | |
| 651 | S | A | 0.0000 | |
| 652 | S | A | 0.0000 | |
| 653 | W | A | 0.0000 | |
| 654 | E | A | -1.4205 | |
| 655 | Y | A | 0.0000 | |
| 656 | Y | A | -0.1737 | |
| 657 | A | A | 0.0000 | |
| 658 | S | A | 0.0000 | |
| 659 | V | A | 0.0000 | |
| 660 | Y | A | 0.4643 | |
| 661 | T | A | 0.0000 | |
| 662 | E | A | 0.0000 | |
| 663 | R | A | 0.0000 | |
| 664 | F | A | 0.0000 | |
| 665 | M | A | 0.0000 | |
| 666 | G | A | -0.0028 | |
| 667 | L | A | -0.3392 | |
| 668 | P | A | -1.4627 | |
| 669 | T | A | -1.8827 | |
| 670 | K | A | -3.0706 | |
| 671 | D | A | -3.1803 | |
| 672 | D | A | -2.4216 | |
| 673 | N | A | 0.0000 | |
| 674 | L | A | -2.4683 | |
| 675 | E | A | -3.3879 | |
| 676 | H | A | -2.5760 | |
| 677 | Y | A | 0.0000 | |
| 678 | K | A | -3.0125 | |
| 679 | N | A | -2.6859 | |
| 680 | S | A | -1.5259 | |
| 681 | T | A | -0.9277 | |
| 682 | V | A | 0.0000 | |
| 683 | M | A | -0.4746 | |
| 684 | A | A | -0.7940 | |
| 685 | R | A | -0.9500 | |
| 686 | A | A | -1.3938 | |
| 687 | E | A | -2.4973 | |
| 688 | Y | A | -1.3088 | |
| 689 | F | A | 0.0000 | |
| 690 | R | A | -2.9890 | |
| 691 | N | A | -2.5894 | |
| 692 | V | A | -1.5277 | |
| 693 | D | A | -1.4599 | |
| 694 | Y | A | 0.0000 | |
| 695 | L | A | 0.0000 | |
| 696 | L | A | 0.0000 | |
| 697 | I | A | 0.0000 | |
| 698 | H | A | 0.0000 | |
| 699 | G | A | 0.0000 | |
| 700 | T | A | -0.2634 | |
| 701 | A | A | 0.0000 | |
| 702 | D | A | 0.0000 | |
| 703 | D | A | 0.0000 | |
| 704 | N | A | -0.3816 | |
| 705 | V | A | 0.0000 | |
| 706 | H | A | 0.0000 | |
| 707 | F | A | 0.0000 | |
| 708 | Q | A | 0.0000 | |
| 709 | N | A | 0.0000 | |
| 710 | S | A | 0.0000 | |
| 711 | A | A | 0.0000 | |
| 712 | Q | A | 0.0000 | |
| 713 | I | A | 0.0000 | |
| 714 | A | A | 0.0000 | |
| 715 | K | A | -0.6623 | |
| 716 | A | A | -0.8375 | |
| 717 | L | A | 0.0000 | |
| 718 | V | A | 0.0000 | |
| 719 | N | A | -1.5778 | |
| 720 | A | A | -1.5265 | |
| 721 | Q | A | -1.4925 | |
| 722 | V | A | 0.0000 | |
| 723 | D | A | -1.5373 | |
| 724 | F | A | 0.0000 | |
| 725 | Q | A | -0.8225 | |
| 726 | A | A | 0.0000 | |
| 727 | M | A | 0.0000 | |
| 728 | W | A | 0.0000 | |
| 729 | Y | A | 0.0000 | |
| 730 | S | A | 0.0000 | |
| 731 | D | A | -0.6436 | |
| 732 | Q | A | -0.9987 | |
| 733 | N | A | -1.1887 | |
| 734 | H | A | -0.9011 | |
| 735 | G | A | -1.0101 | |
| 736 | L | A | 0.0000 | |
| 737 | S | A | -0.7071 | |
| 738 | G | A | -0.6434 | |
| 739 | L | A | -0.6068 | |
| 740 | S | A | 0.0000 | |
| 741 | T | A | -0.1449 | |
| 742 | N | A | -0.6251 | |
| 743 | H | A | 0.0000 | |
| 744 | L | A | 0.0000 | |
| 745 | Y | A | 0.0806 | |
| 746 | T | A | -0.5588 | |
| 747 | H | A | -0.6030 | |
| 748 | M | A | 0.0000 | |
| 749 | T | A | 0.0000 | |
| 750 | H | A | -1.2481 | |
| 751 | F | A | 0.0000 | |
| 752 | L | A | 0.0000 | |
| 753 | K | A | -1.6772 | |
| 754 | Q | A | -1.7500 | |
| 755 | C | A | -1.2504 | |
| 756 | F | A | 0.0000 | |
| 757 | S | A | -0.8664 | |
| 39 | M | B | -0.2924 | |
| 40 | R | B | -1.3599 | |
| 41 | A | B | -1.1548 | |
| 42 | L | B | 0.0000 | |
| 43 | T | B | -0.7807 | |
| 44 | L | B | -0.8756 | |
| 45 | K | B | -1.9565 | |
| 46 | D | B | -1.3061 | |
| 47 | I | B | -0.7887 | |
| 48 | L | B | -0.8622 | |
| 49 | N | B | -1.8456 | |
| 50 | G | B | -1.2722 | |
| 51 | T | B | -0.8151 | |
| 52 | F | B | 0.0000 | |
| 53 | S | B | -0.5859 | |
| 54 | Y | B | -1.1276 | |
| 55 | K | B | -1.4803 | |
| 56 | T | B | -0.3916 | |
| 57 | F | B | 0.4403 | |
| 58 | F | B | 1.2482 | |
| 59 | P | B | 0.0000 | |
| 60 | N | B | -0.4801 | |
| 61 | W | B | -0.0057 | |
| 62 | I | B | 0.1026 | |
| 63 | S | B | -0.2277 | |
| 64 | G | B | 0.0000 | |
| 65 | Q | B | -0.7486 | |
| 66 | E | B | -0.5753 | |
| 67 | Y | B | 0.0000 | |
| 68 | L | B | 0.0000 | |
| 69 | H | B | -0.7575 | |
| 70 | Q | B | -1.9206 | |
| 71 | S | B | -1.5390 | |
| 72 | A | B | -1.4665 | |
| 73 | D | B | -2.5311 | |
| 74 | N | B | -2.7807 | |
| 75 | N | B | -1.8182 | |
| 76 | I | B | 0.0000 | |
| 77 | V | B | -0.1045 | |
| 78 | L | B | 0.0000 | |
| 79 | Y | B | -0.2074 | |
| 80 | N | B | -0.8765 | |
| 81 | I | B | -0.9984 | |
| 82 | E | B | -2.0860 | |
| 83 | T | B | -1.4805 | |
| 84 | G | B | -1.3369 | |
| 85 | Q | B | -1.2365 | |
| 86 | S | B | -0.1415 | |
| 87 | Y | B | 0.7335 | |
| 88 | T | B | 0.5755 | |
| 89 | I | B | 0.6324 | |
| 90 | L | B | 0.0000 | |
| 91 | S | B | -1.2308 | |
| 92 | N | B | 0.0000 | |
| 93 | R | B | -2.8075 | |
| 94 | T | B | -1.8094 | |
| 95 | M | B | 0.0000 | |
| 96 | K | B | -3.0327 | |
| 97 | S | B | -1.7737 | |
| 98 | V | B | -1.2852 | |
| 99 | N | B | -2.3782 | |
| 100 | A | B | -1.3156 | |
| 101 | S | B | -1.0885 | |
| 102 | N | B | -0.8232 | |
| 103 | Y | B | -0.1764 | |
| 104 | G | B | 0.1133 | |
| 105 | L | B | -0.0493 | |
| 106 | S | B | 0.0000 | |
| 107 | P | B | -0.4508 | |
| 108 | D | B | -1.3116 | |
| 109 | R | B | -1.6365 | |
| 110 | Q | B | -1.7629 | |
| 111 | F | B | -0.5741 | |
| 112 | V | B | 0.0000 | |
| 113 | Y | B | 0.4898 | |
| 114 | L | B | 0.0000 | |
| 115 | E | B | 0.0000 | |
| 116 | S | B | 0.0000 | |
| 117 | D | B | -1.4093 | |
| 118 | Y | B | 0.1255 | |
| 119 | S | B | -0.3597 | |
| 120 | K | B | -0.7267 | |
| 121 | L | B | 0.9603 | |
| 122 | W | B | 0.3345 | |
| 123 | R | B | -0.2438 | |
| 124 | Y | B | 0.5846 | |
| 125 | S | B | 0.4931 | |
| 126 | Y | B | 0.2820 | |
| 127 | T | B | -0.3277 | |
| 128 | A | B | 0.0000 | |
| 129 | T | B | -0.6702 | |
| 130 | Y | B | -0.3914 | |
| 131 | Y | B | 0.5632 | |
| 132 | I | B | 0.0000 | |
| 133 | Y | B | -0.2352 | |
| 134 | D | B | -0.9388 | |
| 135 | L | B | -0.8269 | |
| 136 | S | B | -1.3872 | |
| 137 | N | B | -1.9195 | |
| 138 | G | B | -1.5167 | |
| 139 | E | B | -1.8613 | |
| 140 | F | B | -0.4157 | |
| 141 | V | B | -1.1967 | |
| 142 | R | B | -2.4283 | |
| 143 | G | B | -2.0998 | |
| 144 | N | B | -2.3317 | |
| 145 | E | B | -2.6753 | |
| 146 | L | B | -1.2473 | |
| 147 | P | B | -1.4404 | |
| 148 | R | B | -2.4354 | |
| 149 | P | B | -1.5457 | |
| 150 | I | B | 0.0000 | |
| 151 | Q | B | -0.2956 | |
| 152 | Y | B | 0.2915 | |
| 153 | L | B | 0.0000 | |
| 154 | C | B | 0.2427 | |
| 155 | W | B | 0.3365 | |
| 156 | S | B | 0.0000 | |
| 157 | P | B | 0.1260 | |
| 158 | V | B | 0.9336 | |
| 159 | G | B | -0.4037 | |
| 160 | S | B | -0.9179 | |
| 161 | K | B | -0.9609 | |
| 162 | L | B | 0.0000 | |
| 163 | A | B | 0.0000 | |
| 164 | Y | B | 0.0000 | |
| 165 | V | B | 0.0000 | |
| 166 | Y | B | -0.7530 | |
| 167 | Q | B | -2.0847 | |
| 168 | N | B | 0.0000 | |
| 169 | N | B | 0.0000 | |
| 170 | I | B | 0.0000 | |
| 171 | Y | B | 0.2696 | |
| 172 | L | B | 0.0000 | |
| 173 | K | B | 0.0000 | |
| 174 | Q | B | -2.2676 | |
| 175 | R | B | -2.8753 | |
| 176 | P | B | 0.0000 | |
| 177 | G | B | -2.3282 | |
| 178 | D | B | -1.9350 | |
| 179 | P | B | -1.2755 | |
| 180 | P | B | -0.6732 | |
| 181 | F | B | 0.4634 | |
| 182 | Q | B | 0.3457 | |
| 183 | I | B | 0.0000 | |
| 184 | T | B | 0.0000 | |
| 185 | F | B | 0.9766 | |
| 186 | N | B | -0.8441 | |
| 187 | G | B | -1.8534 | |
| 188 | R | B | -3.4494 | |
| 189 | E | B | -3.7102 | |
| 190 | N | B | -2.9753 | |
| 191 | K | B | -2.9823 | |
| 192 | I | B | -1.8222 | |
| 193 | F | B | -1.3789 | |
| 194 | N | B | 0.0000 | |
| 195 | G | B | 0.0000 | |
| 196 | I | B | 0.4468 | |
| 197 | P | B | 0.0000 | |
| 198 | D | B | 0.0000 | |
| 199 | W | B | 0.0000 | |
| 200 | V | B | 0.0000 | |
| 201 | Y | B | 0.0000 | |
| 202 | E | B | 0.0000 | |
| 203 | E | B | -0.2102 | |
| 204 | E | B | 0.0000 | |
| 205 | M | B | 0.4578 | |
| 206 | L | B | 0.0000 | |
| 207 | A | B | 0.1787 | |
| 208 | T | B | 0.2572 | |
| 209 | K | B | 0.5756 | |
| 210 | Y | B | 0.8155 | |
| 211 | A | B | 0.0000 | |
| 212 | L | B | 0.0000 | |
| 213 | W | B | 0.3141 | |
| 214 | W | B | -0.0687 | |
| 215 | S | B | 0.0000 | |
| 216 | P | B | -0.7887 | |
| 217 | N | B | -1.1278 | |
| 218 | G | B | -0.8152 | |
| 219 | K | B | -1.7575 | |
| 220 | F | B | 0.0000 | |
| 221 | L | B | 0.0000 | |
| 222 | A | B | 0.0000 | |
| 223 | Y | B | 0.0000 | |
| 224 | A | B | 0.0000 | |
| 225 | E | B | -0.5346 | |
| 226 | F | B | 0.0000 | |
| 227 | N | B | -0.9492 | |
| 228 | D | B | 0.0000 | |
| 229 | T | B | -1.4958 | |
| 230 | D | B | -2.0691 | |
| 231 | I | B | 0.0000 | |
| 232 | P | B | -0.1947 | |
| 233 | V | B | 0.6878 | |
| 234 | I | B | 0.0000 | |
| 235 | A | B | -0.1860 | |
| 236 | Y | B | 0.0000 | |
| 237 | S | B | -0.3924 | |
| 238 | Y | B | -0.4942 | |
| 239 | Y | B | 0.0000 | |
| 240 | G | B | -1.7028 | |
| 241 | D | B | -2.7232 | |
| 242 | E | B | -3.1350 | |
| 243 | Q | B | -1.9834 | |
| 244 | Y | B | -1.1438 | |
| 245 | P | B | -1.2667 | |
| 246 | R | B | -1.9579 | |
| 247 | T | B | -0.8290 | |
| 248 | I | B | -0.2412 | |
| 249 | N | B | -0.7486 | |
| 250 | I | B | 0.0000 | |
| 251 | P | B | 0.0000 | |
| 252 | Y | B | 0.0000 | |
| 253 | P | B | 0.0000 | |
| 254 | K | B | 0.0000 | |
| 255 | A | B | 0.0000 | |
| 256 | G | B | -0.7221 | |
| 257 | A | B | -1.1586 | |
| 258 | K | B | -2.2427 | |
| 259 | N | B | -1.2707 | |
| 260 | P | B | 0.0000 | |
| 261 | V | B | 0.6124 | |
| 262 | V | B | 0.0000 | |
| 263 | R | B | -0.9801 | |
| 264 | I | B | 0.0000 | |
| 265 | F | B | -0.6464 | |
| 266 | I | B | 0.0000 | |
| 267 | I | B | 0.0000 | |
| 268 | D | B | -0.3730 | |
| 269 | T | B | 0.0000 | |
| 270 | T | B | 0.1272 | |
| 271 | Y | B | 1.6911 | |
| 272 | P | B | 1.1557 | |
| 273 | A | B | 1.5639 | |
| 274 | Y | B | 2.3464 | |
| 275 | V | B | 2.4042 | |
| 276 | G | B | 0.9709 | |
| 277 | P | B | -0.0943 | |
| 278 | Q | B | -0.7017 | |
| 279 | E | B | -1.3621 | |
| 280 | V | B | 0.0000 | |
| 281 | P | B | -0.4702 | |
| 282 | V | B | 0.2264 | |
| 283 | P | B | 0.0065 | |
| 284 | A | B | 0.0960 | |
| 285 | M | B | 0.4034 | |
| 286 | I | B | 0.0000 | |
| 287 | A | B | -0.2283 | |
| 288 | S | B | -0.5249 | |
| 289 | S | B | -0.9476 | |
| 290 | D | B | -1.6920 | |
| 291 | Y | B | -0.4159 | |
| 292 | Y | B | 0.0000 | |
| 293 | F | B | 0.0000 | |
| 294 | S | B | 0.0000 | |
| 295 | W | B | 0.3154 | |
| 296 | L | B | 0.0000 | |
| 297 | T | B | 0.2454 | |
| 298 | W | B | -0.0739 | |
| 299 | V | B | 0.1322 | |
| 300 | T | B | -1.1451 | |
| 301 | D | B | -1.7817 | |
| 302 | E | B | -2.5607 | |
| 303 | R | B | -1.3746 | |
| 304 | V | B | 0.0000 | |
| 305 | C | B | 0.0000 | |
| 306 | L | B | 0.0000 | |
| 307 | Q | B | 0.0000 | |
| 308 | W | B | 0.0000 | |
| 309 | L | B | 0.0000 | |
| 310 | K | B | -0.1589 | |
| 311 | R | B | 0.0190 | |
| 312 | V | B | 1.3195 | |
| 313 | Q | B | 0.0000 | |
| 314 | N | B | -0.7710 | |
| 315 | V | B | -0.5647 | |
| 316 | S | B | 0.0000 | |
| 317 | V | B | 0.0000 | |
| 318 | L | B | 0.0000 | |
| 319 | S | B | 0.0000 | |
| 320 | I | B | 0.0000 | |
| 321 | C | B | 0.0000 | |
| 322 | D | B | -1.6091 | |
| 323 | F | B | -1.9874 | |
| 324 | R | B | -2.5937 | |
| 325 | E | B | -3.0461 | |
| 326 | D | B | -2.4649 | |
| 327 | W | B | -0.5305 | |
| 328 | Q | B | -1.0617 | |
| 329 | T | B | -1.1525 | |
| 330 | W | B | 0.0000 | |
| 331 | D | B | -1.7118 | |
| 332 | C | B | -1.0741 | |
| 333 | P | B | -1.4380 | |
| 334 | K | B | -2.0654 | |
| 335 | T | B | -1.3550 | |
| 336 | Q | B | -1.3071 | |
| 337 | E | B | -0.9904 | |
| 338 | H | B | -0.5490 | |
| 339 | I | B | -0.0892 | |
| 340 | E | B | -0.9524 | |
| 341 | E | B | -2.3342 | |
| 342 | S | B | -1.9544 | |
| 343 | R | B | -2.4336 | |
| 344 | T | B | -1.4303 | |
| 345 | G | B | 0.0000 | |
| 346 | W | B | 0.0000 | |
| 347 | A | B | 0.0000 | |
| 348 | G | B | 0.1542 | |
| 349 | G | B | 0.8002 | |
| 350 | F | B | 1.5797 | |
| 351 | F | B | 1.5115 | |
| 352 | V | B | 0.8879 | |
| 353 | S | B | 0.4750 | |
| 354 | T | B | 0.2117 | |
| 355 | P | B | 0.0000 | |
| 356 | V | B | 0.5074 | |
| 357 | F | B | 0.8052 | |
| 358 | S | B | 0.3477 | |
| 359 | Y | B | 0.3885 | |
| 360 | D | B | -0.6271 | |
| 361 | A | B | 0.5191 | |
| 362 | I | B | 1.1502 | |
| 363 | S | B | 0.0000 | |
| 364 | Y | B | 0.0000 | |
| 365 | Y | B | 0.0000 | |
| 366 | K | B | 0.0000 | |
| 367 | I | B | 0.0000 | |
| 368 | F | B | 0.2020 | |
| 369 | S | B | -0.8408 | |
| 370 | D | B | -1.7798 | |
| 371 | K | B | -2.7350 | |
| 372 | D | B | -3.2408 | |
| 373 | G | B | -2.2129 | |
| 374 | Y | B | -1.5674 | |
| 375 | K | B | -0.7312 | |
| 376 | H | B | 0.0000 | |
| 377 | I | B | 0.0000 | |
| 378 | H | B | 0.0000 | |
| 379 | Y | B | 0.1803 | |
| 380 | I | B | 0.0000 | |
| 381 | K | B | -1.6395 | |
| 382 | D | B | -2.5845 | |
| 383 | T | B | -1.9423 | |
| 384 | V | B | -1.0625 | |
| 385 | E | B | -2.1632 | |
| 386 | N | B | -2.2331 | |
| 387 | A | B | -0.7588 | |
| 388 | I | B | 0.7645 | |
| 389 | Q | B | 0.5327 | |
| 390 | I | B | 1.2222 | |
| 391 | T | B | 0.0000 | |
| 392 | S | B | -0.6689 | |
| 393 | G | B | -1.3654 | |
| 394 | K | B | -2.3658 | |
| 395 | W | B | -1.2028 | |
| 396 | E | B | 0.0000 | |
| 397 | A | B | 0.0000 | |
| 398 | I | B | 0.3811 | |
| 399 | N | B | -0.2267 | |
| 400 | I | B | 0.2511 | |
| 401 | F | B | 0.4337 | |
| 402 | R | B | -0.0487 | |
| 403 | V | B | 0.1605 | |
| 404 | T | B | -0.2914 | |
| 405 | Q | B | -1.3078 | |
| 406 | D | B | -1.2897 | |
| 407 | S | B | 0.0000 | |
| 408 | L | B | 0.0000 | |
| 409 | F | B | 0.0000 | |
| 410 | Y | B | 0.0000 | |
| 411 | S | B | 0.0000 | |
| 412 | S | B | 0.0000 | |
| 413 | N | B | 0.0000 | |
| 414 | E | B | -1.6087 | |
| 415 | F | B | -1.1828 | |
| 416 | E | B | -2.4944 | |
| 417 | E | B | -2.7149 | |
| 418 | Y | B | -1.2650 | |
| 419 | P | B | -0.6137 | |
| 420 | G | B | 0.0000 | |
| 421 | R | B | -0.6515 | |
| 422 | R | B | 0.0000 | |
| 423 | N | B | 0.0000 | |
| 424 | I | B | 0.0000 | |
| 425 | Y | B | 0.0000 | |
| 426 | R | B | -1.1395 | |
| 427 | I | B | -0.8292 | |
| 428 | S | B | -0.8271 | |
| 429 | I | B | -0.2874 | |
| 430 | G | B | -0.4412 | |
| 431 | S | B | 0.1185 | |
| 432 | Y | B | 1.0139 | |
| 433 | P | B | 0.1676 | |
| 434 | P | B | -0.3829 | |
| 435 | S | B | -1.2133 | |
| 436 | K | B | -2.1803 | |
| 437 | K | B | -2.2804 | |
| 438 | C | B | -0.8934 | |
| 439 | V | B | -0.6334 | |
| 440 | T | B | 0.0000 | |
| 441 | C | B | -0.6796 | |
| 442 | H | B | -1.5366 | |
| 443 | L | B | -0.9285 | |
| 444 | R | B | -1.9319 | |
| 445 | K | B | -2.8831 | |
| 446 | E | B | -2.9631 | |
| 447 | R | B | -1.8359 | |
| 448 | C | B | 0.0000 | |
| 449 | Q | B | 0.0000 | |
| 450 | Y | B | 0.1065 | |
| 451 | Y | B | 0.0000 | |
| 452 | T | B | 0.1166 | |
| 453 | A | B | 0.0000 | |
| 454 | S | B | 0.3333 | |
| 455 | F | B | 0.2259 | |
| 456 | S | B | 0.0000 | |
| 457 | D | B | -0.5595 | |
| 458 | Y | B | 0.3370 | |
| 459 | A | B | -0.3953 | |
| 460 | K | B | -0.9885 | |
| 461 | Y | B | -0.5404 | |
| 462 | Y | B | 0.0000 | |
| 463 | A | B | 0.0000 | |
| 464 | L | B | 0.0000 | |
| 465 | V | B | 0.0000 | |
| 466 | C | B | 0.0000 | |
| 467 | Y | B | 0.3737 | |
| 468 | G | B | 0.0000 | |
| 469 | P | B | -0.6319 | |
| 470 | G | B | -0.5879 | |
| 471 | I | B | -0.5559 | |
| 472 | P | B | 0.0000 | |
| 473 | I | B | 0.0000 | |
| 474 | S | B | 0.0000 | |
| 475 | T | B | 0.0000 | |
| 476 | L | B | 0.0000 | |
| 477 | H | B | 0.0000 | |
| 478 | D | B | 0.0000 | |
| 479 | G | B | -1.3632 | |
| 480 | R | B | -2.3031 | |
| 481 | T | B | -1.5559 | |
| 482 | D | B | -1.4641 | |
| 483 | Q | B | -1.6579 | |
| 484 | E | B | -0.6244 | |
| 485 | I | B | 0.8291 | |
| 486 | K | B | 0.3846 | |
| 487 | I | B | 0.7903 | |
| 488 | L | B | 0.6516 | |
| 489 | E | B | -0.6669 | |
| 490 | E | B | -1.7870 | |
| 491 | N | B | -2.7418 | |
| 492 | K | B | -3.7056 | |
| 493 | E | B | -3.6504 | |
| 494 | L | B | 0.0000 | |
| 495 | E | B | -3.8642 | |
| 496 | N | B | -3.7554 | |
| 497 | A | B | -2.4991 | |
| 498 | L | B | -2.5478 | |
| 499 | K | B | -3.0905 | |
| 500 | N | B | -2.5472 | |
| 501 | I | B | 0.0000 | |
| 502 | Q | B | -1.8651 | |
| 503 | L | B | -1.2210 | |
| 504 | P | B | 0.0000 | |
| 505 | K | B | -2.8969 | |
| 506 | E | B | -3.0101 | |
| 507 | E | B | -2.4203 | |
| 508 | I | B | -1.4677 | |
| 509 | K | B | -1.8964 | |
| 510 | K | B | -1.9661 | |
| 511 | L | B | -1.5063 | |
| 512 | E | B | -2.4456 | |
| 513 | V | B | -1.4244 | |
| 514 | D | B | -2.6781 | |
| 515 | E | B | -2.7923 | |
| 516 | I | B | -1.4343 | |
| 517 | T | B | -1.3023 | |
| 518 | L | B | 0.0000 | |
| 519 | W | B | -0.7578 | |
| 520 | Y | B | 0.0000 | |
| 521 | K | B | -1.2585 | |
| 522 | M | B | 0.0000 | |
| 523 | I | B | 0.0000 | |
| 524 | L | B | 0.0000 | |
| 525 | P | B | 0.0000 | |
| 526 | P | B | -1.3651 | |
| 527 | Q | B | -1.5202 | |
| 528 | F | B | -1.6614 | |
| 529 | D | B | -2.8918 | |
| 530 | R | B | -3.2421 | |
| 531 | S | B | -2.6724 | |
| 532 | K | B | -3.4611 | |
| 533 | K | B | -3.3830 | |
| 534 | Y | B | -1.9599 | |
| 535 | P | B | -1.2621 | |
| 536 | L | B | 0.0000 | |
| 537 | L | B | 0.0000 | |
| 538 | I | B | 0.0000 | |
| 539 | Q | B | 0.0000 | |
| 540 | V | B | 0.0000 | |
| 541 | Y | B | 0.5366 | |
| 542 | G | B | 0.1745 | |
| 543 | G | B | 0.0579 | |
| 544 | P | B | 0.0000 | |
| 545 | C | B | 0.4845 | |
| 546 | S | B | 0.1896 | |
| 547 | Q | B | -0.1435 | |
| 548 | S | B | -0.1153 | |
| 549 | V | B | 0.0000 | |
| 550 | R | B | -0.3433 | |
| 551 | S | B | 0.0000 | |
| 552 | V | B | 0.6198 | |
| 553 | F | B | 0.5443 | |
| 554 | A | B | 0.3684 | |
| 555 | V | B | 0.1522 | |
| 556 | N | B | -0.2352 | |
| 557 | W | B | 0.0000 | |
| 558 | I | B | 0.0000 | |
| 559 | S | B | 0.0000 | |
| 560 | Y | B | 0.0000 | |
| 561 | L | B | 0.0000 | |
| 562 | A | B | 0.0000 | |
| 563 | S | B | -1.4805 | |
| 564 | K | B | -1.9526 | |
| 565 | E | B | -1.7180 | |
| 566 | G | B | -1.0411 | |
| 567 | M | B | 0.0000 | |
| 568 | V | B | 0.0000 | |
| 569 | I | B | 0.0000 | |
| 570 | A | B | 0.0000 | |
| 571 | L | B | 0.0000 | |
| 572 | V | B | -0.0098 | |
| 573 | D | B | 0.0000 | |
| 574 | G | B | 0.0000 | |
| 575 | R | B | -0.5522 | |
| 576 | G | B | 0.0000 | |
| 577 | T | B | 0.0000 | |
| 578 | A | B | 0.0000 | |
| 579 | F | B | 0.2515 | |
| 580 | Q | B | -0.6731 | |
| 581 | G | B | 0.0000 | |
| 582 | D | B | -1.3625 | |
| 583 | K | B | -2.0183 | |
| 584 | L | B | -0.8155 | |
| 585 | L | B | 0.0000 | |
| 586 | Y | B | 0.0000 | |
| 587 | A | B | -0.4977 | |
| 588 | V | B | 0.0000 | |
| 589 | Y | B | -0.1247 | |
| 590 | R | B | -0.8390 | |
| 591 | K | B | -0.8736 | |
| 592 | L | B | 0.0000 | |
| 593 | G | B | -0.2262 | |
| 594 | V | B | 0.2209 | |
| 595 | Y | B | -0.1223 | |
| 596 | E | B | 0.0000 | |
| 597 | V | B | -0.3641 | |
| 598 | E | B | -1.4242 | |
| 599 | D | B | 0.0000 | |
| 600 | Q | B | 0.0000 | |
| 601 | I | B | -0.8404 | |
| 602 | T | B | -0.9586 | |
| 603 | A | B | 0.0000 | |
| 604 | V | B | 0.0000 | |
| 605 | R | B | -2.5161 | |
| 606 | K | B | -1.9447 | |
| 607 | F | B | 0.0000 | |
| 608 | I | B | -1.7147 | |
| 609 | E | B | -2.3698 | |
| 610 | M | B | -0.9469 | |
| 611 | G | B | -1.7990 | |
| 612 | F | B | 0.0000 | |
| 613 | I | B | 0.0000 | |
| 614 | D | B | 0.0000 | |
| 615 | E | B | -3.4495 | |
| 616 | K | B | -3.0562 | |
| 617 | R | B | -2.3006 | |
| 618 | I | B | 0.0000 | |
| 619 | A | B | 0.0000 | |
| 620 | I | B | 0.0000 | |
| 621 | W | B | 0.0000 | |
| 622 | G | B | 0.0000 | |
| 623 | W | B | 0.2760 | |
| 624 | S | B | 0.0592 | |
| 625 | Y | B | 0.0000 | |
| 626 | G | B | 0.0000 | |
| 627 | G | B | 0.0000 | |
| 628 | Y | B | 0.0000 | |
| 629 | V | B | 0.0000 | |
| 630 | S | B | 0.0000 | |
| 631 | S | B | 0.0000 | |
| 632 | L | B | 0.2135 | |
| 633 | A | B | 0.0000 | |
| 634 | L | B | 0.0000 | |
| 635 | A | B | 0.0000 | |
| 636 | S | B | -0.3999 | |
| 637 | G | B | -1.0199 | |
| 638 | T | B | -0.3528 | |
| 639 | G | B | -0.9880 | |
| 640 | L | B | -1.1768 | |
| 641 | F | B | 0.0000 | |
| 642 | K | B | -1.8874 | |
| 643 | C | B | 0.0000 | |
| 644 | G | B | 0.0000 | |
| 645 | I | B | 0.0000 | |
| 646 | A | B | 0.0000 | |
| 647 | V | B | 0.0000 | |
| 648 | A | B | 0.0000 | |
| 649 | P | B | 0.0000 | |
| 650 | V | B | 0.0000 | |
| 651 | S | B | 0.0000 | |
| 652 | S | B | 0.0000 | |
| 653 | W | B | 0.0000 | |
| 654 | E | B | -1.3720 | |
| 655 | Y | B | 0.0000 | |
| 656 | Y | B | -0.1671 | |
| 657 | A | B | 0.0000 | |
| 658 | S | B | 0.0000 | |
| 659 | V | B | 0.0000 | |
| 660 | Y | B | 0.3542 | |
| 661 | T | B | 0.0000 | |
| 662 | E | B | 0.0000 | |
| 663 | R | B | 0.0000 | |
| 664 | F | B | 0.0000 | |
| 665 | M | B | 0.0000 | |
| 666 | G | B | 0.0228 | |
| 667 | L | B | -0.4045 | |
| 668 | P | B | -1.3960 | |
| 669 | T | B | -1.8373 | |
| 670 | K | B | -3.0284 | |
| 671 | D | B | -3.1561 | |
| 672 | D | B | -2.4506 | |
| 673 | N | B | 0.0000 | |
| 674 | L | B | -2.3483 | |
| 675 | E | B | -3.3122 | |
| 676 | H | B | -2.5406 | |
| 677 | Y | B | 0.0000 | |
| 678 | K | B | -2.9917 | |
| 679 | N | B | -2.7069 | |
| 680 | S | B | -1.5426 | |
| 681 | T | B | -0.9239 | |
| 682 | V | B | 0.0000 | |
| 683 | M | B | -0.5536 | |
| 684 | A | B | -0.8008 | |
| 685 | R | B | -0.9458 | |
| 686 | A | B | -1.4860 | |
| 687 | E | B | -2.5738 | |
| 688 | Y | B | -1.3167 | |
| 689 | F | B | 0.0000 | |
| 690 | R | B | -3.0813 | |
| 691 | N | B | -2.5718 | |
| 692 | V | B | -1.4956 | |
| 693 | D | B | -1.4095 | |
| 694 | Y | B | 0.0000 | |
| 695 | L | B | 0.0000 | |
| 696 | L | B | 0.0000 | |
| 697 | I | B | 0.0000 | |
| 698 | H | B | 0.0000 | |
| 699 | G | B | 0.0000 | |
| 700 | T | B | -0.2665 | |
| 701 | A | B | 0.0000 | |
| 702 | D | B | 0.0000 | |
| 703 | D | B | 0.0000 | |
| 704 | N | B | -0.3920 | |
| 705 | V | B | 0.0000 | |
| 706 | H | B | 0.0000 | |
| 707 | F | B | 0.0000 | |
| 708 | Q | B | 0.0000 | |
| 709 | N | B | 0.0000 | |
| 710 | S | B | 0.0000 | |
| 711 | A | B | 0.0000 | |
| 712 | Q | B | -0.5778 | |
| 713 | I | B | 0.0000 | |
| 714 | A | B | 0.0000 | |
| 715 | K | B | -1.1662 | |
| 716 | A | B | -1.1119 | |
| 717 | L | B | 0.0000 | |
| 718 | V | B | -1.2432 | |
| 719 | N | B | -1.8864 | |
| 720 | A | B | -1.9143 | |
| 721 | Q | B | -2.2818 | |
| 722 | V | B | 0.0000 | |
| 723 | D | B | -1.7691 | |
| 724 | F | B | 0.0000 | |
| 725 | Q | B | -0.8076 | |
| 726 | A | B | 0.0000 | |
| 727 | M | B | 0.0000 | |
| 728 | W | B | 0.0000 | |
| 729 | Y | B | 0.0000 | |
| 730 | S | B | 0.0000 | |
| 731 | D | B | -0.5037 | |
| 732 | Q | B | -1.0360 | |
| 733 | N | B | -1.5146 | |
| 734 | H | B | -1.0655 | |
| 735 | G | B | -1.0787 | |
| 736 | L | B | 0.0000 | |
| 737 | S | B | -0.7159 | |
| 738 | G | B | -0.5489 | |
| 739 | L | B | -0.1036 | |
| 740 | S | B | 0.0000 | |
| 741 | T | B | -0.0494 | |
| 742 | N | B | -0.3434 | |
| 743 | H | B | 0.0000 | |
| 744 | L | B | 0.0000 | |
| 745 | Y | B | 0.1583 | |
| 746 | T | B | -0.2469 | |
| 747 | H | B | -0.5423 | |
| 748 | M | B | 0.0000 | |
| 749 | T | B | 0.0000 | |
| 750 | H | B | -1.0849 | |
| 751 | F | B | 0.0000 | |
| 752 | L | B | 0.0000 | |
| 753 | K | B | -1.6051 | |
| 754 | Q | B | -1.7172 | |
| 755 | C | B | 0.0000 | |
| 756 | F | B | 0.0000 | |
| 757 | S | B | -0.8677 |
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 | -0.5316 | 3.7564 | View | CSV | PDB |
| 4.5 | -0.5894 | 3.7564 | View | CSV | PDB |
| 5.0 | -0.6603 | 3.7564 | View | CSV | PDB |
| 5.5 | -0.7319 | 3.7564 | View | CSV | PDB |
| 6.0 | -0.7901 | 3.7564 | View | CSV | PDB |
| 6.5 | -0.8231 | 3.7564 | View | CSV | PDB |
| 7.0 | -0.8285 | 3.7564 | View | CSV | PDB |
| 7.5 | -0.8141 | 3.7564 | View | CSV | PDB |
| 8.0 | -0.7884 | 3.7564 | View | CSV | PDB |
| 8.5 | -0.7549 | 3.7564 | View | CSV | PDB |
| 9.0 | -0.7137 | 3.7564 | 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