| Chain sequence(s) |
A: GADDVVDSSKSFVMENFSSYHGTKPGYVDSIQKGIQKPKSGTQGNYDDDWKEFYSTDNKYDAAGYSVDNENPLSGKAGGVVKVTYPGLTKVLALKVDNAETIKKELGLSLTEPLMEQVGTEEFIKRFGDGASRVVLSLPFAEGSSSVEYINNWEQAKALSVELEINFETRGKRGQDAMYEYMAQACAGNRVRRSVGSSLSCINLDWDVIRDKTKTKIESLKEHGPIKNKMSESPNKTVSEEKAKQYLEEFHQTALEHPELSELKTVTGTNPVFAGANYAAWAVNVAQVIDSETADNLEKTTAALSILPGIGSVMGIADGAVHHNTEEIVAQSIALSSLMVAQAIPLVGELVDIGFAAYNFVESIINLFQVVHNSYNRPAYSPGHKTQPFLHDGYAVSWNTVEDSIIRTGFQGESGHDIKITAENTPLPIAGVLLPTIPGKLDVNKSKTHISVNGRKIRMRCRAIDGDVTFCRPKSPVYVGNGVHANLHVAFHRSSSEKIHSNEISSDSIGVLGYQKTVDHTKVNSKLSLFFEIKS
B: GADDVVDSSKSFVMENFSSYHGTKPGYVDSIQKGIQKPKSGTQGNYDDDWKEFYSTDNKYDAAGYSVDNENPLSGKAGGVVKVTYPGLTKVLALKVDNAETIKKELGLSLTEPLMEQVGTEEFIKRFGDGASRVVLSLPFAEGSSSVEYINNWEQAKALSVELEINFETRGKRGQDAMYEYMAQACAGNRVRRSVGSSLSCINLDWDVIRDKTKTKIESLKEHGPIKNKMSESPNKTVSEEKAKQYLEEFHQTALEHPELSELKTVTGTNPVFAGANYAAWAVNVAQVIDSETADNLEKTTAALSILPGIGSVMGIADGAVHHNTEEIVAQSIALSSLMVAQAIPLVGELVDIGFAAYNFVESIINLFQVVHNSYNRPAYSPGHKTQPFLHDGYAVSWNTVEDSIIRTGFQGESGHDIKITAENTPLPIAGVLLPTIPGKLDVNKSKTHISVNGRKIRMRCRAIDGDVTFCRPKSPVYVGNGVHANLHVAFHRSSSEKIHSNEISSDSIGVLGYQKTVDHTKVNSKLSLFFEIKS 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] (00:00:00)
[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 all 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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:15:14)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/abbc05023903510/tmp/folded.pdb (00:15:14)
[INFO] Main: Simulation completed successfully. (00:21:20)
|
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 |
|---|---|---|---|---|
| 22 | G | A | -2.1783 | |
| 23 | A | A | -2.0572 | |
| 24 | D | A | -3.1540 | |
| 25 | D | A | -3.1808 | |
| 26 | V | A | 0.0000 | |
| 27 | V | A | -1.8918 | |
| 28 | D | A | -1.8825 | |
| 29 | S | A | -1.9953 | |
| 30 | S | A | -1.5953 | |
| 31 | K | A | -1.8241 | |
| 32 | S | A | 0.0000 | |
| 33 | F | A | -0.5123 | |
| 34 | V | A | 0.0000 | |
| 35 | M | A | -0.9669 | |
| 36 | E | A | -2.1020 | |
| 37 | N | A | -1.9686 | |
| 38 | F | A | 0.0000 | |
| 39 | S | A | -0.8516 | |
| 40 | S | A | 0.0000 | |
| 41 | Y | A | -0.7899 | |
| 42 | H | A | -0.3918 | |
| 43 | G | A | 0.0000 | |
| 44 | T | A | 0.0000 | |
| 45 | K | A | -0.5083 | |
| 46 | P | A | -1.0174 | |
| 47 | G | A | -0.5442 | |
| 48 | Y | A | 0.2028 | |
| 49 | V | A | 0.0000 | |
| 50 | D | A | -2.0075 | |
| 51 | S | A | -1.1914 | |
| 52 | I | A | -1.2096 | |
| 53 | Q | A | -1.9066 | |
| 54 | K | A | -2.5402 | |
| 55 | G | A | -2.3171 | |
| 56 | I | A | 0.0000 | |
| 57 | Q | A | -2.9017 | |
| 58 | K | A | -2.8251 | |
| 59 | P | A | -2.0097 | |
| 60 | K | A | -2.4198 | |
| 61 | S | A | -1.5077 | |
| 62 | G | A | -1.1789 | |
| 63 | T | A | -1.2040 | |
| 64 | Q | A | -1.4914 | |
| 65 | G | A | -0.8962 | |
| 66 | N | A | 0.0000 | |
| 67 | Y | A | -0.7554 | |
| 68 | D | A | 0.0000 | |
| 69 | D | A | -2.4626 | |
| 70 | D | A | -1.8160 | |
| 71 | W | A | 0.0000 | |
| 72 | K | A | -1.5913 | |
| 73 | E | A | 0.0000 | |
| 74 | F | A | 0.0000 | |
| 75 | Y | A | 0.0271 | |
| 76 | S | A | 0.0000 | |
| 77 | T | A | 0.0000 | |
| 78 | D | A | -1.2799 | |
| 79 | N | A | -1.0297 | |
| 80 | K | A | -0.9714 | |
| 81 | Y | A | -0.3598 | |
| 82 | D | A | 0.0000 | |
| 83 | A | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | G | A | -0.2013 | |
| 86 | Y | A | -0.3249 | |
| 87 | S | A | 0.0000 | |
| 88 | V | A | -1.0687 | |
| 89 | D | A | -2.0034 | |
| 90 | N | A | -2.6791 | |
| 91 | E | A | -2.8188 | |
| 92 | N | A | -2.3100 | |
| 93 | P | A | 0.0000 | |
| 94 | L | A | -0.8684 | |
| 95 | S | A | -1.0995 | |
| 96 | G | A | -1.4061 | |
| 97 | K | A | -2.1466 | |
| 98 | A | A | 0.0000 | |
| 99 | G | A | 0.0000 | |
| 100 | G | A | 0.0000 | |
| 101 | V | A | 0.0000 | |
| 102 | V | A | 0.0000 | |
| 103 | K | A | -1.2107 | |
| 104 | V | A | 0.0000 | |
| 105 | T | A | -1.0062 | |
| 106 | Y | A | 0.0000 | |
| 107 | P | A | -1.0240 | |
| 108 | G | A | -0.9969 | |
| 109 | L | A | -0.8833 | |
| 110 | T | A | 0.0000 | |
| 111 | K | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | L | A | 0.0000 | |
| 114 | A | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | K | A | -2.1813 | |
| 117 | V | A | -0.8419 | |
| 118 | D | A | -0.9347 | |
| 119 | N | A | -0.9201 | |
| 120 | A | A | 0.0000 | |
| 121 | E | A | -1.3435 | |
| 122 | T | A | -1.4646 | |
| 123 | I | A | 0.0000 | |
| 124 | K | A | 0.0000 | |
| 125 | K | A | -2.2445 | |
| 126 | E | A | -2.4735 | |
| 127 | L | A | 0.0000 | |
| 128 | G | A | -1.1990 | |
| 129 | L | A | -0.8160 | |
| 130 | S | A | -0.6733 | |
| 131 | L | A | -0.5264 | |
| 132 | T | A | -0.5718 | |
| 133 | E | A | -1.8600 | |
| 134 | P | A | -1.9372 | |
| 135 | L | A | 0.0000 | |
| 136 | M | A | 0.0000 | |
| 137 | E | A | -2.6611 | |
| 138 | Q | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | G | A | -1.6572 | |
| 141 | T | A | -2.2572 | |
| 142 | E | A | -3.2823 | |
| 143 | E | A | -3.4574 | |
| 144 | F | A | 0.0000 | |
| 145 | I | A | -2.2707 | |
| 146 | K | A | -3.3583 | |
| 147 | R | A | -2.5062 | |
| 148 | F | A | -1.1170 | |
| 149 | G | A | 0.0000 | |
| 150 | D | A | -1.5112 | |
| 151 | G | A | -1.3473 | |
| 152 | A | A | 0.0000 | |
| 153 | S | A | -0.8040 | |
| 154 | R | A | 0.0000 | |
| 155 | V | A | 0.0000 | |
| 156 | V | A | 0.0000 | |
| 157 | L | A | 0.0000 | |
| 158 | S | A | 0.0000 | |
| 159 | L | A | -0.4699 | |
| 160 | P | A | -0.5823 | |
| 161 | F | A | 0.0000 | |
| 162 | A | A | -0.8070 | |
| 163 | E | A | -1.5153 | |
| 164 | G | A | -1.0066 | |
| 165 | S | A | -0.7440 | |
| 166 | S | A | -0.6337 | |
| 167 | S | A | -0.6192 | |
| 168 | V | A | -0.2256 | |
| 169 | E | A | -0.2911 | |
| 170 | Y | A | 0.0000 | |
| 171 | I | A | 0.0000 | |
| 172 | N | A | 0.0000 | |
| 173 | N | A | 0.0000 | |
| 174 | W | A | -2.1387 | |
| 175 | E | A | -2.9789 | |
| 176 | Q | A | -1.7907 | |
| 177 | A | A | 0.0000 | |
| 178 | K | A | -2.7328 | |
| 179 | A | A | -1.2708 | |
| 180 | L | A | 0.0000 | |
| 181 | S | A | -1.3971 | |
| 182 | V | A | -1.6900 | |
| 183 | E | A | -2.1181 | |
| 184 | L | A | -0.6342 | |
| 185 | E | A | -0.8476 | |
| 186 | I | A | -0.6587 | |
| 187 | N | A | -1.1759 | |
| 188 | F | A | 0.0000 | |
| 189 | E | A | -3.2879 | |
| 190 | T | A | -2.0552 | |
| 191 | R | A | -3.0224 | |
| 192 | G | A | -2.9100 | |
| 193 | K | A | -3.9623 | |
| 194 | R | A | -3.7891 | |
| 195 | G | A | -2.1855 | |
| 196 | Q | A | 0.0000 | |
| 197 | D | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | M | A | 0.0000 | |
| 200 | Y | A | 0.0000 | |
| 201 | E | A | -0.9701 | |
| 202 | Y | A | 0.0000 | |
| 203 | M | A | 0.0000 | |
| 204 | A | A | 0.0000 | |
| 205 | Q | A | -1.0237 | |
| 206 | A | A | -0.3100 | |
| 207 | C | A | 0.0000 | |
| 208 | A | A | -0.9883 | |
| 209 | G | A | -1.6250 | |
| 210 | N | A | -2.1645 | |
| 211 | R | A | -2.3697 | |
| 212 | V | A | -0.8729 | |
| 213 | R | A | -2.5153 | |
| 214 | R | A | -2.6366 | |
| 215 | S | A | -1.5782 | |
| 216 | V | A | -1.1471 | |
| 217 | G | A | -1.2911 | |
| 218 | S | A | -0.6988 | |
| 219 | S | A | -0.2944 | |
| 220 | L | A | -0.1996 | |
| 221 | S | A | -0.2015 | |
| 222 | C | A | -0.2145 | |
| 223 | I | A | -0.5335 | |
| 224 | N | A | -1.5324 | |
| 225 | L | A | 0.0000 | |
| 226 | D | A | -1.9285 | |
| 227 | W | A | 0.0000 | |
| 228 | D | A | -2.8780 | |
| 229 | V | A | -1.3392 | |
| 230 | I | A | 0.0000 | |
| 231 | R | A | 0.0000 | |
| 232 | D | A | -2.5095 | |
| 233 | K | A | -1.8310 | |
| 234 | T | A | 0.0000 | |
| 235 | K | A | -1.9957 | |
| 236 | T | A | -1.8602 | |
| 237 | K | A | 0.0000 | |
| 238 | I | A | 0.0000 | |
| 239 | E | A | -2.8429 | |
| 240 | S | A | -2.0852 | |
| 241 | L | A | 0.0000 | |
| 242 | K | A | -2.6541 | |
| 243 | E | A | -3.0815 | |
| 244 | H | A | -2.2268 | |
| 245 | G | A | -1.7121 | |
| 246 | P | A | -1.7603 | |
| 247 | I | A | 0.0000 | |
| 248 | K | A | -2.7679 | |
| 249 | N | A | -2.4958 | |
| 250 | K | A | -1.9578 | |
| 251 | M | A | -1.7176 | |
| 252 | S | A | -2.0110 | |
| 253 | E | A | -2.5712 | |
| 254 | S | A | 0.0000 | |
| 255 | P | A | -1.8073 | |
| 256 | N | A | -2.3742 | |
| 257 | K | A | -2.4832 | |
| 258 | T | A | -1.5046 | |
| 259 | V | A | -1.4098 | |
| 260 | S | A | -1.9376 | |
| 261 | E | A | -2.6794 | |
| 262 | E | A | -3.5117 | |
| 263 | K | A | -3.0848 | |
| 264 | A | A | 0.0000 | |
| 265 | K | A | -3.0538 | |
| 266 | Q | A | -3.2158 | |
| 267 | Y | A | 0.0000 | |
| 268 | L | A | 0.0000 | |
| 269 | E | A | -2.4998 | |
| 270 | E | A | -2.1973 | |
| 271 | F | A | 0.0000 | |
| 272 | H | A | 0.0000 | |
| 273 | Q | A | -2.3464 | |
| 274 | T | A | -1.8638 | |
| 275 | A | A | 0.0000 | |
| 276 | L | A | 0.0000 | |
| 277 | E | A | -2.5640 | |
| 278 | H | A | 0.0000 | |
| 279 | P | A | -1.3507 | |
| 280 | E | A | -1.4438 | |
| 281 | L | A | 0.0000 | |
| 282 | S | A | -1.7423 | |
| 283 | E | A | -1.7769 | |
| 284 | L | A | 0.0000 | |
| 285 | K | A | -2.1764 | |
| 286 | T | A | -1.1888 | |
| 287 | V | A | -0.5846 | |
| 288 | T | A | -0.7326 | |
| 289 | G | A | -0.7134 | |
| 290 | T | A | -0.4299 | |
| 291 | N | A | -0.5649 | |
| 292 | P | A | -0.4244 | |
| 293 | V | A | -0.4207 | |
| 294 | F | A | 0.0000 | |
| 295 | A | A | -0.7059 | |
| 296 | G | A | -1.2693 | |
| 297 | A | A | -1.1828 | |
| 298 | N | A | -0.8513 | |
| 299 | Y | A | 0.0000 | |
| 300 | A | A | 0.0000 | |
| 301 | A | A | -1.1308 | |
| 302 | W | A | 0.0000 | |
| 303 | A | A | 0.0000 | |
| 304 | V | A | 0.0000 | |
| 305 | N | A | -0.6593 | |
| 306 | V | A | 0.0000 | |
| 307 | A | A | 0.0000 | |
| 308 | Q | A | -0.8735 | |
| 309 | V | A | -0.4743 | |
| 310 | I | A | 0.0000 | |
| 311 | D | A | -1.9849 | |
| 312 | S | A | -2.1049 | |
| 313 | E | A | -3.1239 | |
| 314 | T | A | 0.0000 | |
| 315 | A | A | 0.0000 | |
| 316 | D | A | -3.1524 | |
| 317 | N | A | -2.5541 | |
| 318 | L | A | -0.9564 | |
| 319 | E | A | -1.4898 | |
| 320 | K | A | -2.1957 | |
| 321 | T | A | 0.0000 | |
| 322 | T | A | 0.0000 | |
| 323 | A | A | -0.4004 | |
| 324 | A | A | 0.0000 | |
| 325 | L | A | 0.0000 | |
| 326 | S | A | 0.0000 | |
| 327 | I | A | 0.0889 | |
| 328 | L | A | 0.0000 | |
| 329 | P | A | -0.2795 | |
| 330 | G | A | -0.3201 | |
| 331 | I | A | 0.0000 | |
| 332 | G | A | 0.0000 | |
| 333 | S | A | 0.0000 | |
| 334 | V | A | 0.0000 | |
| 335 | M | A | 0.0000 | |
| 336 | G | A | 0.0000 | |
| 337 | I | A | 0.0000 | |
| 338 | A | A | 0.0000 | |
| 339 | D | A | -2.4548 | |
| 340 | G | A | -1.6354 | |
| 341 | A | A | -0.8980 | |
| 342 | V | A | -0.5032 | |
| 343 | H | A | -0.7703 | |
| 344 | H | A | 0.0000 | |
| 345 | N | A | -1.3914 | |
| 346 | T | A | -1.1800 | |
| 347 | E | A | -1.3621 | |
| 348 | E | A | -1.0381 | |
| 349 | I | A | -0.9611 | |
| 350 | V | A | 0.0000 | |
| 351 | A | A | 0.0000 | |
| 352 | Q | A | 0.0000 | |
| 353 | S | A | 0.0000 | |
| 354 | I | A | 0.0000 | |
| 355 | A | A | 0.0000 | |
| 356 | L | A | 0.0000 | |
| 357 | S | A | 0.0000 | |
| 358 | S | A | 0.0000 | |
| 359 | L | A | 0.0000 | |
| 360 | M | A | 0.0000 | |
| 361 | V | A | 0.0000 | |
| 362 | A | A | 0.0000 | |
| 363 | Q | A | 0.0000 | |
| 364 | A | A | 0.0000 | |
| 365 | I | A | 0.0000 | |
| 366 | P | A | -1.2247 | |
| 367 | L | A | 0.0000 | |
| 368 | V | A | -1.1372 | |
| 369 | G | A | -1.0993 | |
| 370 | E | A | -1.4483 | |
| 371 | L | A | 0.4118 | |
| 372 | V | A | 0.0000 | |
| 373 | D | A | -0.7152 | |
| 374 | I | A | 0.3841 | |
| 375 | G | A | -0.2864 | |
| 376 | F | A | 0.0000 | |
| 377 | A | A | 0.0000 | |
| 378 | A | A | 0.1838 | |
| 379 | Y | A | 1.1887 | |
| 380 | N | A | 0.0000 | |
| 381 | F | A | 0.0000 | |
| 382 | V | A | 0.0000 | |
| 383 | E | A | -0.1042 | |
| 384 | S | A | 0.0000 | |
| 385 | I | A | 0.0000 | |
| 386 | I | A | 0.0000 | |
| 387 | N | A | 0.0000 | |
| 388 | L | A | 0.0000 | |
| 389 | F | A | 0.0000 | |
| 390 | Q | A | 0.0000 | |
| 391 | V | A | 0.0000 | |
| 392 | V | A | 0.0000 | |
| 393 | H | A | 0.0000 | |
| 394 | N | A | 0.0000 | |
| 395 | S | A | 0.0000 | |
| 396 | Y | A | -0.0837 | |
| 397 | N | A | 0.0000 | |
| 398 | R | A | -0.3773 | |
| 399 | P | A | -0.4633 | |
| 400 | A | A | -0.4346 | |
| 401 | Y | A | 0.0000 | |
| 402 | S | A | -0.9389 | |
| 403 | P | A | -1.1374 | |
| 404 | G | A | -1.6762 | |
| 405 | H | A | -1.5587 | |
| 406 | K | A | -2.0811 | |
| 407 | T | A | -1.1262 | |
| 408 | Q | A | -1.3452 | |
| 409 | P | A | -0.1417 | |
| 410 | F | A | 1.3418 | |
| 411 | L | A | 1.3423 | |
| 412 | H | A | 0.0614 | |
| 413 | D | A | -0.7670 | |
| 414 | G | A | -0.7496 | |
| 415 | Y | A | 0.0000 | |
| 416 | A | A | 0.2018 | |
| 417 | V | A | 0.0000 | |
| 418 | S | A | 0.0000 | |
| 419 | W | A | 0.0000 | |
| 420 | N | A | -0.8470 | |
| 421 | T | A | -0.2371 | |
| 422 | V | A | 0.6611 | |
| 423 | E | A | -0.8362 | |
| 424 | D | A | -0.6625 | |
| 425 | S | A | -0.1142 | |
| 426 | I | A | -0.6781 | |
| 427 | I | A | 0.0000 | |
| 428 | R | A | -1.6980 | |
| 429 | T | A | 0.0000 | |
| 430 | G | A | -1.8415 | |
| 431 | F | A | -1.1262 | |
| 432 | Q | A | -1.5417 | |
| 433 | G | A | -0.9317 | |
| 434 | E | A | 0.0000 | |
| 435 | S | A | -0.6247 | |
| 436 | G | A | -0.7324 | |
| 437 | H | A | 0.0000 | |
| 438 | D | A | -0.7141 | |
| 439 | I | A | 0.0000 | |
| 440 | K | A | 0.0000 | |
| 441 | I | A | 0.0000 | |
| 442 | T | A | 0.0000 | |
| 443 | A | A | 0.0000 | |
| 444 | E | A | -2.4131 | |
| 445 | N | A | -2.1258 | |
| 446 | T | A | -1.1945 | |
| 447 | P | A | 0.0000 | |
| 448 | L | A | 0.0000 | |
| 449 | P | A | 0.0000 | |
| 450 | I | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | G | A | 0.0000 | |
| 453 | V | A | 0.0000 | |
| 454 | L | A | 0.0139 | |
| 455 | L | A | 0.0000 | |
| 456 | P | A | 0.0000 | |
| 457 | T | A | 0.0000 | |
| 458 | I | A | -0.5134 | |
| 459 | P | A | -0.6444 | |
| 460 | G | A | -0.8867 | |
| 461 | K | A | 0.0000 | |
| 462 | L | A | 0.0000 | |
| 463 | D | A | -0.8110 | |
| 464 | V | A | 0.0000 | |
| 465 | N | A | 0.0000 | |
| 466 | K | A | -1.8916 | |
| 467 | S | A | -1.0866 | |
| 468 | K | A | -0.8933 | |
| 469 | T | A | 0.0000 | |
| 470 | H | A | -1.1240 | |
| 471 | I | A | 0.0000 | |
| 472 | S | A | 0.0000 | |
| 473 | V | A | 0.0000 | |
| 474 | N | A | 0.0000 | |
| 475 | G | A | 0.0000 | |
| 476 | R | A | 0.0000 | |
| 477 | K | A | -0.7042 | |
| 478 | I | A | 0.0000 | |
| 479 | R | A | -1.7516 | |
| 480 | M | A | 0.0000 | |
| 481 | R | A | -2.8649 | |
| 482 | C | A | -2.0562 | |
| 483 | R | A | -2.1072 | |
| 484 | A | A | -1.0180 | |
| 485 | I | A | -0.8644 | |
| 486 | D | A | -1.9057 | |
| 487 | G | A | -1.5279 | |
| 488 | D | A | -1.3042 | |
| 489 | V | A | -0.8031 | |
| 490 | T | A | 0.0000 | |
| 491 | F | A | -0.7079 | |
| 492 | C | A | 0.0000 | |
| 493 | R | A | -1.6210 | |
| 494 | P | A | 0.0000 | |
| 495 | K | A | -1.5216 | |
| 496 | S | A | -0.4793 | |
| 497 | P | A | 0.0000 | |
| 498 | V | A | 0.0000 | |
| 499 | Y | A | 0.0000 | |
| 500 | V | A | 0.0000 | |
| 501 | G | A | 0.0000 | |
| 502 | N | A | -2.0244 | |
| 503 | G | A | -1.1625 | |
| 504 | V | A | 0.0000 | |
| 505 | H | A | 0.0000 | |
| 506 | A | A | 0.0000 | |
| 507 | N | A | 0.0000 | |
| 508 | L | A | 0.0000 | |
| 509 | H | A | -0.6360 | |
| 510 | V | A | 0.0000 | |
| 511 | A | A | 0.0000 | |
| 512 | F | A | 0.0000 | |
| 513 | H | A | -0.7513 | |
| 514 | R | A | -0.9963 | |
| 515 | S | A | -0.9347 | |
| 516 | S | A | -1.4894 | |
| 517 | S | A | -1.8471 | |
| 518 | E | A | -3.0215 | |
| 519 | K | A | -3.0900 | |
| 520 | I | A | 0.0000 | |
| 521 | H | A | -2.5048 | |
| 522 | S | A | -2.2636 | |
| 523 | N | A | -2.1187 | |
| 524 | E | A | -1.7760 | |
| 525 | I | A | -1.2385 | |
| 526 | S | A | -1.2439 | |
| 527 | S | A | -0.7370 | |
| 528 | D | A | -0.9689 | |
| 529 | S | A | 0.1858 | |
| 530 | I | A | 0.0000 | |
| 531 | G | A | 0.0000 | |
| 532 | V | A | 0.0000 | |
| 533 | L | A | -0.3077 | |
| 534 | G | A | 0.0000 | |
| 535 | Y | A | -0.2621 | |
| 536 | Q | A | -0.4520 | |
| 537 | K | A | -0.8270 | |
| 538 | T | A | -0.8236 | |
| 539 | V | A | -0.5005 | |
| 540 | D | A | -1.9319 | |
| 541 | H | A | -1.7376 | |
| 542 | T | A | -1.1213 | |
| 543 | K | A | -0.9461 | |
| 544 | V | A | -0.3141 | |
| 545 | N | A | -0.4981 | |
| 546 | S | A | 0.0000 | |
| 547 | K | A | -1.2506 | |
| 548 | L | A | 0.0000 | |
| 549 | S | A | 0.3890 | |
| 550 | L | A | 0.0000 | |
| 551 | F | A | 1.3844 | |
| 552 | F | A | 0.0000 | |
| 553 | E | A | -1.3448 | |
| 554 | I | A | -1.5956 | |
| 555 | K | A | -2.0156 | |
| 556 | S | A | -1.3631 | |
| 22 | G | B | -2.0139 | |
| 23 | A | B | -1.9466 | |
| 24 | D | B | -3.0999 | |
| 25 | D | B | -3.1351 | |
| 26 | V | B | 0.0000 | |
| 27 | V | B | -1.8673 | |
| 28 | D | B | -1.8040 | |
| 29 | S | B | -1.7802 | |
| 30 | S | B | -1.4906 | |
| 31 | K | B | -2.0912 | |
| 32 | S | B | 0.0000 | |
| 33 | F | B | -0.4133 | |
| 34 | V | B | 0.0000 | |
| 35 | M | B | -1.2652 | |
| 36 | E | B | -2.4963 | |
| 37 | N | B | -2.3110 | |
| 38 | F | B | 0.0000 | |
| 39 | S | B | -0.9219 | |
| 40 | S | B | 0.0000 | |
| 41 | Y | B | -0.6712 | |
| 42 | H | B | -0.3083 | |
| 43 | G | B | 0.0000 | |
| 44 | T | B | 0.0000 | |
| 45 | K | B | -0.5999 | |
| 46 | P | B | -1.1952 | |
| 47 | G | B | -0.7243 | |
| 48 | Y | B | 0.3412 | |
| 49 | V | B | 0.0000 | |
| 50 | D | B | -2.0180 | |
| 51 | S | B | -1.2377 | |
| 52 | I | B | -1.1891 | |
| 53 | Q | B | -1.8443 | |
| 54 | K | B | -2.6006 | |
| 55 | G | B | -2.0523 | |
| 56 | I | B | 0.0000 | |
| 57 | Q | B | -2.7921 | |
| 58 | K | B | -2.5617 | |
| 59 | P | B | -1.8906 | |
| 60 | K | B | -2.3612 | |
| 61 | S | B | -1.4724 | |
| 62 | G | B | -1.1105 | |
| 63 | T | B | -1.0128 | |
| 64 | Q | B | -1.3444 | |
| 65 | G | B | -0.6948 | |
| 66 | N | B | 0.0000 | |
| 67 | Y | B | -0.7341 | |
| 68 | D | B | 0.0000 | |
| 69 | D | B | -2.4459 | |
| 70 | D | B | -1.8294 | |
| 71 | W | B | 0.0000 | |
| 72 | K | B | -1.4264 | |
| 73 | E | B | 0.0000 | |
| 74 | F | B | 0.0000 | |
| 75 | Y | B | 0.1161 | |
| 76 | S | B | 0.0000 | |
| 77 | T | B | 0.0000 | |
| 78 | D | B | -1.1437 | |
| 79 | N | B | -0.8897 | |
| 80 | K | B | -0.8179 | |
| 81 | Y | B | -0.3180 | |
| 82 | D | B | 0.0000 | |
| 83 | A | B | 0.0000 | |
| 84 | A | B | 0.0000 | |
| 85 | G | B | -0.1385 | |
| 86 | Y | B | -0.1882 | |
| 87 | S | B | 0.0000 | |
| 88 | V | B | -1.1969 | |
| 89 | D | B | -2.0918 | |
| 90 | N | B | -2.5874 | |
| 91 | E | B | -2.8315 | |
| 92 | N | B | -2.1190 | |
| 93 | P | B | 0.0000 | |
| 94 | L | B | 0.0000 | |
| 95 | S | B | -1.0500 | |
| 96 | G | B | -1.6869 | |
| 97 | K | B | -2.9270 | |
| 98 | A | B | 0.0000 | |
| 99 | G | B | 0.0000 | |
| 100 | G | B | 0.0000 | |
| 101 | V | B | 0.0000 | |
| 102 | V | B | 0.0000 | |
| 103 | K | B | -1.1084 | |
| 104 | V | B | 0.0000 | |
| 105 | T | B | -1.0587 | |
| 106 | Y | B | 0.0000 | |
| 107 | P | B | -1.1550 | |
| 108 | G | B | -1.3173 | |
| 109 | L | B | -1.1793 | |
| 110 | T | B | 0.0000 | |
| 111 | K | B | 0.0000 | |
| 112 | V | B | 0.0000 | |
| 113 | L | B | 0.0000 | |
| 114 | A | B | 0.0000 | |
| 115 | L | B | 0.0000 | |
| 116 | K | B | -2.3681 | |
| 117 | V | B | -0.9217 | |
| 118 | D | B | -0.9698 | |
| 119 | N | B | -0.9977 | |
| 120 | A | B | 0.0000 | |
| 121 | E | B | -1.0900 | |
| 122 | T | B | -1.1901 | |
| 123 | I | B | 0.0000 | |
| 124 | K | B | 0.0000 | |
| 125 | K | B | -1.4908 | |
| 126 | E | B | -2.0411 | |
| 127 | L | B | 0.0000 | |
| 128 | G | B | -0.8906 | |
| 129 | L | B | -0.5513 | |
| 130 | S | B | -0.4263 | |
| 131 | L | B | -0.1026 | |
| 132 | T | B | -0.4563 | |
| 133 | E | B | -1.8952 | |
| 134 | P | B | -1.9765 | |
| 135 | L | B | 0.0000 | |
| 136 | M | B | 0.0000 | |
| 137 | E | B | -2.8118 | |
| 138 | Q | B | -1.7631 | |
| 139 | V | B | 0.0000 | |
| 140 | G | B | -1.7603 | |
| 141 | T | B | -2.3525 | |
| 142 | E | B | -3.3331 | |
| 143 | E | B | -3.5900 | |
| 144 | F | B | 0.0000 | |
| 145 | I | B | -2.4582 | |
| 146 | K | B | -3.6317 | |
| 147 | R | B | -2.9629 | |
| 148 | F | B | -1.3981 | |
| 149 | G | B | 0.0000 | |
| 150 | D | B | -1.6808 | |
| 151 | G | B | -1.4626 | |
| 152 | A | B | 0.0000 | |
| 153 | S | B | -0.8264 | |
| 154 | R | B | 0.0000 | |
| 155 | V | B | 0.0000 | |
| 156 | V | B | 0.0000 | |
| 157 | L | B | 0.0000 | |
| 158 | S | B | 0.0000 | |
| 159 | L | B | -0.4393 | |
| 160 | P | B | -0.5236 | |
| 161 | F | B | 0.0000 | |
| 162 | A | B | -0.6601 | |
| 163 | E | B | -1.2488 | |
| 164 | G | B | -0.8789 | |
| 165 | S | B | -0.6408 | |
| 166 | S | B | -0.5311 | |
| 167 | S | B | 0.0000 | |
| 168 | V | B | -0.1282 | |
| 169 | E | B | -0.2028 | |
| 170 | Y | B | 0.0000 | |
| 171 | I | B | 0.0000 | |
| 172 | N | B | 0.0000 | |
| 173 | N | B | 0.0000 | |
| 174 | W | B | -2.0677 | |
| 175 | E | B | -2.9566 | |
| 176 | Q | B | -1.9159 | |
| 177 | A | B | 0.0000 | |
| 178 | K | B | -2.5932 | |
| 179 | A | B | -1.2945 | |
| 180 | L | B | 0.0000 | |
| 181 | S | B | -1.2969 | |
| 182 | V | B | -1.3634 | |
| 183 | E | B | -2.0005 | |
| 184 | L | B | -0.6606 | |
| 185 | E | B | -0.8563 | |
| 186 | I | B | 0.0000 | |
| 187 | N | B | -1.2507 | |
| 188 | F | B | 0.0000 | |
| 189 | E | B | -3.4926 | |
| 190 | T | B | -2.1533 | |
| 191 | R | B | -3.2232 | |
| 192 | G | B | -2.9307 | |
| 193 | K | B | -3.5476 | |
| 194 | R | B | -3.5458 | |
| 195 | G | B | -2.2910 | |
| 196 | Q | B | 0.0000 | |
| 197 | D | B | 0.0000 | |
| 198 | A | B | -2.2141 | |
| 199 | M | B | 0.0000 | |
| 200 | Y | B | 0.0000 | |
| 201 | E | B | -2.0123 | |
| 202 | Y | B | 0.0000 | |
| 203 | M | B | 0.0000 | |
| 204 | A | B | 0.0000 | |
| 205 | Q | B | -1.4838 | |
| 206 | A | B | -0.6486 | |
| 207 | C | B | -0.3864 | |
| 208 | A | B | -1.0869 | |
| 209 | G | B | -1.6367 | |
| 210 | N | B | -2.4397 | |
| 211 | R | B | -2.4443 | |
| 212 | V | B | -0.3532 | |
| 213 | R | B | -1.8349 | |
| 214 | R | B | -1.4032 | |
| 215 | S | B | -0.0213 | |
| 216 | V | B | 1.5916 | |
| 217 | G | B | 0.6523 | |
| 218 | S | B | 0.0402 | |
| 219 | S | B | 0.4649 | |
| 220 | L | B | 1.6061 | |
| 221 | S | B | 0.4308 | |
| 222 | C | B | 0.0000 | |
| 223 | I | B | -0.7457 | |
| 224 | N | B | -1.7640 | |
| 225 | L | B | 0.0000 | |
| 226 | D | B | -1.6887 | |
| 227 | W | B | 0.0000 | |
| 228 | D | B | -1.6723 | |
| 229 | V | B | -0.9494 | |
| 230 | I | B | 0.0000 | |
| 231 | R | B | 0.0000 | |
| 232 | D | B | -2.2242 | |
| 233 | K | B | -1.9209 | |
| 234 | T | B | 0.0000 | |
| 235 | K | B | -1.7796 | |
| 236 | T | B | -1.7879 | |
| 237 | K | B | 0.0000 | |
| 238 | I | B | 0.0000 | |
| 239 | E | B | -2.8969 | |
| 240 | S | B | -2.0712 | |
| 241 | L | B | 0.0000 | |
| 242 | K | B | -2.9497 | |
| 243 | E | B | -3.2927 | |
| 244 | H | B | -2.3973 | |
| 245 | G | B | -1.9604 | |
| 246 | P | B | -1.9476 | |
| 247 | I | B | 0.0000 | |
| 248 | K | B | -3.1378 | |
| 249 | N | B | -2.5912 | |
| 250 | K | B | 0.0000 | |
| 251 | M | B | -1.8027 | |
| 252 | S | B | -2.0210 | |
| 253 | E | B | -2.5458 | |
| 254 | S | B | -1.9305 | |
| 255 | P | B | -1.8504 | |
| 256 | N | B | -2.3497 | |
| 257 | K | B | -2.3267 | |
| 258 | T | B | -1.5450 | |
| 259 | V | B | -1.4045 | |
| 260 | S | B | -1.8843 | |
| 261 | E | B | -2.4278 | |
| 262 | E | B | -3.4407 | |
| 263 | K | B | -3.2973 | |
| 264 | A | B | 0.0000 | |
| 265 | K | B | -2.9226 | |
| 266 | Q | B | -3.2056 | |
| 267 | Y | B | 0.0000 | |
| 268 | L | B | 0.0000 | |
| 269 | E | B | -2.6878 | |
| 270 | E | B | -2.2019 | |
| 271 | F | B | 0.0000 | |
| 272 | H | B | 0.0000 | |
| 273 | Q | B | -2.3126 | |
| 274 | T | B | -1.8472 | |
| 275 | A | B | 0.0000 | |
| 276 | L | B | 0.0000 | |
| 277 | E | B | -2.4447 | |
| 278 | H | B | 0.0000 | |
| 279 | P | B | -1.3493 | |
| 280 | E | B | -1.3966 | |
| 281 | L | B | 0.0000 | |
| 282 | S | B | -1.7035 | |
| 283 | E | B | -1.9441 | |
| 284 | L | B | 0.0000 | |
| 285 | K | B | -1.9475 | |
| 286 | T | B | -0.9952 | |
| 287 | V | B | -0.5715 | |
| 288 | T | B | -0.6538 | |
| 289 | G | B | -0.6459 | |
| 290 | T | B | -0.3745 | |
| 291 | N | B | -0.5540 | |
| 292 | P | B | -0.3975 | |
| 293 | V | B | -0.4589 | |
| 294 | F | B | 0.0000 | |
| 295 | A | B | -0.6808 | |
| 296 | G | B | -1.2649 | |
| 297 | A | B | -1.2123 | |
| 298 | N | B | -0.8737 | |
| 299 | Y | B | 0.0000 | |
| 300 | A | B | 0.0000 | |
| 301 | A | B | -1.0927 | |
| 302 | W | B | 0.0000 | |
| 303 | A | B | 0.0000 | |
| 304 | V | B | 0.0000 | |
| 305 | N | B | -0.5179 | |
| 306 | V | B | 0.0000 | |
| 307 | A | B | 0.0000 | |
| 308 | Q | B | -0.9055 | |
| 309 | V | B | -0.5482 | |
| 310 | I | B | 0.0000 | |
| 311 | D | B | -2.6179 | |
| 312 | S | B | -2.4424 | |
| 313 | E | B | -3.1761 | |
| 314 | T | B | -2.4145 | |
| 315 | A | B | -2.0742 | |
| 316 | D | B | -2.9706 | |
| 317 | N | B | -2.2536 | |
| 318 | L | B | -0.7799 | |
| 319 | E | B | -1.2829 | |
| 320 | K | B | -1.8388 | |
| 321 | T | B | 0.0000 | |
| 322 | T | B | 0.0000 | |
| 323 | A | B | -0.3164 | |
| 324 | A | B | -0.2719 | |
| 325 | L | B | 0.0000 | |
| 326 | S | B | 0.0000 | |
| 327 | I | B | 0.1181 | |
| 328 | L | B | 0.0000 | |
| 329 | P | B | -0.0986 | |
| 330 | G | B | -0.1829 | |
| 331 | I | B | 0.0000 | |
| 332 | G | B | 0.0000 | |
| 333 | S | B | 0.0000 | |
| 334 | V | B | 0.0000 | |
| 335 | M | B | 0.0000 | |
| 336 | G | B | 0.0000 | |
| 337 | I | B | 0.0000 | |
| 338 | A | B | 0.0000 | |
| 339 | D | B | -2.5632 | |
| 340 | G | B | -1.7474 | |
| 341 | A | B | -0.7535 | |
| 342 | V | B | 0.0000 | |
| 343 | H | B | -0.8367 | |
| 344 | H | B | 0.0000 | |
| 345 | N | B | -1.2045 | |
| 346 | T | B | -1.0479 | |
| 347 | E | B | -1.1768 | |
| 348 | E | B | -1.0250 | |
| 349 | I | B | -0.8590 | |
| 350 | V | B | 0.0000 | |
| 351 | A | B | 0.0000 | |
| 352 | Q | B | 0.0000 | |
| 353 | S | B | 0.0000 | |
| 354 | I | B | 0.0000 | |
| 355 | A | B | 0.0000 | |
| 356 | L | B | 0.0000 | |
| 357 | S | B | 0.0000 | |
| 358 | S | B | 0.0000 | |
| 359 | L | B | 0.0000 | |
| 360 | M | B | 0.0000 | |
| 361 | V | B | 0.0000 | |
| 362 | A | B | 0.0000 | |
| 363 | Q | B | -0.1140 | |
| 364 | A | B | 0.0000 | |
| 365 | I | B | 0.0000 | |
| 366 | P | B | -1.1817 | |
| 367 | L | B | 0.0000 | |
| 368 | V | B | -0.9674 | |
| 369 | G | B | -1.3603 | |
| 370 | E | B | -1.9063 | |
| 371 | L | B | -0.5590 | |
| 372 | V | B | 0.7398 | |
| 373 | D | B | 0.4182 | |
| 374 | I | B | 1.9202 | |
| 375 | G | B | 0.6660 | |
| 376 | F | B | 0.0000 | |
| 377 | A | B | 0.0000 | |
| 378 | A | B | 0.4349 | |
| 379 | Y | B | 1.1680 | |
| 380 | N | B | 0.0000 | |
| 381 | F | B | 0.0000 | |
| 382 | V | B | 0.0000 | |
| 383 | E | B | -0.1444 | |
| 384 | S | B | 0.0000 | |
| 385 | I | B | 0.0000 | |
| 386 | I | B | 0.0000 | |
| 387 | N | B | 0.0000 | |
| 388 | L | B | 0.0000 | |
| 389 | F | B | 0.0000 | |
| 390 | Q | B | 0.0000 | |
| 391 | V | B | 0.0000 | |
| 392 | V | B | 0.0000 | |
| 393 | H | B | 0.0000 | |
| 394 | N | B | 0.0000 | |
| 395 | S | B | 0.0000 | |
| 396 | Y | B | 0.0599 | |
| 397 | N | B | -0.0947 | |
| 398 | R | B | -0.2861 | |
| 399 | P | B | -0.3345 | |
| 400 | A | B | -0.4377 | |
| 401 | Y | B | 0.0000 | |
| 402 | S | B | -0.8532 | |
| 403 | P | B | -0.9489 | |
| 404 | G | B | -1.1950 | |
| 405 | H | B | -1.2039 | |
| 406 | K | B | -1.4468 | |
| 407 | T | B | -0.9027 | |
| 408 | Q | B | -1.2818 | |
| 409 | P | B | -0.1756 | |
| 410 | F | B | 1.1441 | |
| 411 | L | B | 0.8398 | |
| 412 | H | B | -0.1296 | |
| 413 | D | B | -0.9121 | |
| 414 | G | B | -0.9584 | |
| 415 | Y | B | 0.0000 | |
| 416 | A | B | 0.0000 | |
| 417 | V | B | 0.0000 | |
| 418 | S | B | 0.0000 | |
| 419 | W | B | 0.0000 | |
| 420 | N | B | -0.7461 | |
| 421 | T | B | -0.1631 | |
| 422 | V | B | 0.6850 | |
| 423 | E | B | -0.8922 | |
| 424 | D | B | -0.6018 | |
| 425 | S | B | -0.1324 | |
| 426 | I | B | -0.7264 | |
| 427 | I | B | 0.0000 | |
| 428 | R | B | -1.8213 | |
| 429 | T | B | -2.0031 | |
| 430 | G | B | -1.8025 | |
| 431 | F | B | -1.0154 | |
| 432 | Q | B | -1.6066 | |
| 433 | G | B | -1.0504 | |
| 434 | E | B | 0.0000 | |
| 435 | S | B | -0.6882 | |
| 436 | G | B | -0.7741 | |
| 437 | H | B | 0.0000 | |
| 438 | D | B | -0.6724 | |
| 439 | I | B | 0.0000 | |
| 440 | K | B | 0.0000 | |
| 441 | I | B | 0.0000 | |
| 442 | T | B | 0.0000 | |
| 443 | A | B | 0.0000 | |
| 444 | E | B | -2.6120 | |
| 445 | N | B | -2.3446 | |
| 446 | T | B | -1.2606 | |
| 447 | P | B | 0.0000 | |
| 448 | L | B | -0.2994 | |
| 449 | P | B | 0.0000 | |
| 450 | I | B | 0.0000 | |
| 451 | A | B | 0.0000 | |
| 452 | G | B | 0.0000 | |
| 453 | V | B | 0.0000 | |
| 454 | L | B | 0.0754 | |
| 455 | L | B | 0.0000 | |
| 456 | P | B | 0.0000 | |
| 457 | T | B | 0.0000 | |
| 458 | I | B | -0.6018 | |
| 459 | P | B | -0.7677 | |
| 460 | G | B | -1.0296 | |
| 461 | K | B | -1.2981 | |
| 462 | L | B | 0.0000 | |
| 463 | D | B | -0.8883 | |
| 464 | V | B | 0.0000 | |
| 465 | N | B | 0.0000 | |
| 466 | K | B | -1.5753 | |
| 467 | S | B | -0.8130 | |
| 468 | K | B | -0.7255 | |
| 469 | T | B | 0.0000 | |
| 470 | H | B | -0.7611 | |
| 471 | I | B | 0.0000 | |
| 472 | S | B | 0.0000 | |
| 473 | V | B | 0.0000 | |
| 474 | N | B | 0.0000 | |
| 475 | G | B | 0.0000 | |
| 476 | R | B | 0.0000 | |
| 477 | K | B | -0.5445 | |
| 478 | I | B | 0.0000 | |
| 479 | R | B | -1.0731 | |
| 480 | M | B | 0.0000 | |
| 481 | R | B | -1.3804 | |
| 482 | C | B | -1.1864 | |
| 483 | R | B | -1.6301 | |
| 484 | A | B | -0.8178 | |
| 485 | I | B | -0.4180 | |
| 486 | D | B | -1.7237 | |
| 487 | G | B | -1.5050 | |
| 488 | D | B | -1.4058 | |
| 489 | V | B | -0.8384 | |
| 490 | T | B | 0.0000 | |
| 491 | F | B | -0.2024 | |
| 492 | C | B | 0.0000 | |
| 493 | R | B | -0.7455 | |
| 494 | P | B | 0.0000 | |
| 495 | K | B | -0.8701 | |
| 496 | S | B | -0.3316 | |
| 497 | P | B | 0.0000 | |
| 498 | V | B | 0.0000 | |
| 499 | Y | B | 0.0000 | |
| 500 | V | B | 0.0000 | |
| 501 | G | B | 0.0000 | |
| 502 | N | B | -2.1303 | |
| 503 | G | B | -1.2124 | |
| 504 | V | B | 0.0000 | |
| 505 | H | B | 0.0000 | |
| 506 | A | B | 0.0000 | |
| 507 | N | B | 0.0000 | |
| 508 | L | B | 0.0000 | |
| 509 | H | B | -0.6065 | |
| 510 | V | B | 0.0000 | |
| 511 | A | B | 0.0000 | |
| 512 | F | B | 0.0000 | |
| 513 | H | B | -0.8614 | |
| 514 | R | B | -1.1103 | |
| 515 | S | B | -1.0191 | |
| 516 | S | B | -1.5339 | |
| 517 | S | B | -1.8762 | |
| 518 | E | B | -2.9972 | |
| 519 | K | B | -3.0604 | |
| 520 | I | B | 0.0000 | |
| 521 | H | B | -2.6708 | |
| 522 | S | B | -2.2213 | |
| 523 | N | B | -2.1274 | |
| 524 | E | B | -1.9676 | |
| 525 | I | B | -1.3207 | |
| 526 | S | B | -1.2887 | |
| 527 | S | B | -0.7719 | |
| 528 | D | B | -0.9890 | |
| 529 | S | B | 0.1790 | |
| 530 | I | B | 0.0000 | |
| 531 | G | B | 0.0000 | |
| 532 | V | B | 0.0000 | |
| 533 | L | B | 0.0000 | |
| 534 | G | B | 0.0000 | |
| 535 | Y | B | -0.3550 | |
| 536 | Q | B | -0.4639 | |
| 537 | K | B | -0.7070 | |
| 538 | T | B | -0.6940 | |
| 539 | V | B | -0.3950 | |
| 540 | D | B | -1.8635 | |
| 541 | H | B | -1.6557 | |
| 542 | T | B | -1.0451 | |
| 543 | K | B | -0.7354 | |
| 544 | V | B | -0.3100 | |
| 545 | N | B | -0.7019 | |
| 546 | S | B | 0.0000 | |
| 547 | K | B | -1.5382 | |
| 548 | L | B | 0.0000 | |
| 549 | S | B | 0.2731 | |
| 550 | L | B | 0.0000 | |
| 551 | F | B | 1.3424 | |
| 552 | F | B | 0.0000 | |
| 553 | E | B | -1.4724 | |
| 554 | I | B | 0.0000 | |
| 555 | K | B | -2.0953 | |
| 556 | S | B | -1.3968 |
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 | -0.6789 | 3.934 | View | CSV | PDB |
| 4.5 | -0.7477 | 3.8423 | View | CSV | PDB |
| 5.0 | -0.8325 | 3.7259 | View | CSV | PDB |
| 5.5 | -0.9179 | 3.5922 | View | CSV | PDB |
| 6.0 | -0.9873 | 3.4531 | View | CSV | PDB |
| 6.5 | -1.0278 | 3.3196 | View | CSV | PDB |
| 7.0 | -1.0376 | 3.2034 | View | CSV | PDB |
| 7.5 | -1.0266 | 3.1112 | View | CSV | PDB |
| 8.0 | -1.004 | 3.042 | View | CSV | PDB |
| 8.5 | -0.9733 | 2.9949 | View | CSV | PDB |
| 9.0 | -0.934 | 2.9694 | 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