| Chain sequence(s) |
A: MSWKVVIIFSLLITPQHGLKESYLEESCSTITEGYLSVLRTGWYTNVFTLEVGDVENLTCSDGPSLIKHELDLVKSALRELKTVSADQLARGSAAAITAGVAIAKTIRLESEVTAIKNALKTTNEAVHTLGNGVRVLVTAVRELKDFVNKNLTRAINKNKCDIDDLKMAVSFSQFNRRFLNVVRQFSDNNGITPSISLDLMTDAELARAVSNMPTSAGQIKLMLENRAMVRRKGFGILIGVYGDSVIYTVQLPIFGVIDTPCWIVLAAPSCSEKKGNYICLLREDQGWYCQNAGSTVYYPNEKDCETRGDHVFCDTAAGINVAEQSKECNINISTTNYCCKVSTGRHPISMVVLTPLGALVACYKGVSCSIGSNRVGIIKQLNKGCTYITNQDADTVTIDNTVYQLSKVEGEQHVIKGRPVSSSFDPIKFPQDQFNVCLDQVFENI
C: MSWKVVIIFSLLITPQHGLKESYLEESCSTITEGYLSVLRTGWYTNVFTLEVGDVENLTCSDGPSLIKHELDLVKSALRELKTVSADQLARGSAAAITAGVAIAKTIRLESEVTAIKNALKTTNEAVHTLGNGVRVLVTAVRELKDFVNKNLTRAINKNKCDIDDLKMAVSFSQFNRRFLNVVRQFSDNNGITPSISLDLMTDAELARAVSNMPTSAGQIKLMLENRAMVRRKGFGILIGVYGDSVIYTVQLPIFGVIDTPCWIVLAAPSCSEKKGNYICLLREDQGWYCQNAGSTVYYPNEKDCETRGDHVFCDTAAGINVAEQSKECNINISTTNYCCKVSTGRHPISMVVLTPLGALVACYKGVSCSIGSNRVGIIKQLNKGCTYITNQDADTVTIDNTVYQLSKVEGEQHVIKGRPVSSSFDPIKFPQDQFNVCLDQVFENI B: MSWKVVIIFSLLITPQHGLKESYLEESCSTITEGYLSVLRTGWYTNVFTLEVGDVENLTCSDGPSLIKHELDLVKSALRELKTVSADQLARGSAAAITAGVAIAKTIRLESEVTAIKNALKTTNEAVHTLGNGVRVLVTAVRELKDFVNKNLTRAINKNKCDIDDLKMAVSFSQFNRRFLNVVRQFSDNNGITPSISLDLMTDAELARAVSNMPTSAGQIKLMLENRAMVRRKGFGILIGVYGDSVIYTVQLPIFGVIDTPCWIVLAAPSCSEKKGNYICLLREDQGWYCQNAGSTVYYPNEKDCETRGDHVFCDTAAGINVAEQSKECNINISTTNYCCKVSTGRHPISMVVLTPLGALVACYKGVSCSIGSNRVGIIKQLNKGCTYITNQDADTVTIDNTVYQLSKVEGEQHVIKGRPVSSSFDPIKFPQDQFNVCLDQVFENI input PDB |
| Selected Chain(s) | A,B,C |
| 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. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:54:17)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b0b724e84e9ce56/tmp/folded.pdb (00:54:17)
[INFO] Main: Simulation completed successfully. (01:12:54)
|
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 | 0.4384 | |
| 2 | S | A | 0.4839 | |
| 3 | W | A | 0.7965 | |
| 4 | K | A | 0.2669 | |
| 5 | V | A | 1.7676 | |
| 6 | V | A | 0.0000 | |
| 7 | I | A | 2.7269 | |
| 8 | I | A | 2.3936 | |
| 9 | F | A | 0.0000 | |
| 10 | S | A | 1.5316 | |
| 11 | L | A | 1.5705 | |
| 12 | L | A | 0.0000 | |
| 13 | I | A | 1.0138 | |
| 14 | T | A | 0.0033 | |
| 15 | P | A | -0.1045 | |
| 16 | Q | A | -0.9049 | |
| 17 | H | A | -0.8200 | |
| 18 | G | A | -1.2695 | |
| 19 | L | A | -1.4000 | |
| 20 | K | A | -2.3130 | |
| 21 | E | A | 0.0000 | |
| 22 | S | A | 0.0000 | |
| 23 | Y | A | 0.0000 | |
| 24 | L | A | 0.0000 | |
| 25 | E | A | -1.3293 | |
| 26 | E | A | -1.3233 | |
| 27 | S | A | 0.0000 | |
| 28 | C | A | 0.0000 | |
| 29 | S | A | 0.0000 | |
| 30 | T | A | 0.0000 | |
| 31 | I | A | 0.0000 | |
| 32 | T | A | 0.0000 | |
| 33 | E | A | -1.4204 | |
| 34 | G | A | -0.9083 | |
| 35 | Y | A | 0.0000 | |
| 36 | L | A | -0.4358 | |
| 37 | S | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | L | A | -0.0680 | |
| 40 | R | A | 0.0000 | |
| 41 | T | A | 0.0142 | |
| 42 | G | A | -0.0906 | |
| 43 | W | A | 0.1994 | |
| 44 | Y | A | -0.0066 | |
| 45 | T | A | 0.0000 | |
| 46 | N | A | 0.0000 | |
| 47 | V | A | 0.0000 | |
| 48 | F | A | 0.0000 | |
| 49 | T | A | 0.0000 | |
| 50 | L | A | 0.0000 | |
| 51 | E | A | -1.7235 | |
| 52 | V | A | -1.3758 | |
| 53 | G | A | -1.5864 | |
| 54 | D | A | -2.0407 | |
| 55 | V | A | -0.5134 | |
| 56 | E | A | -1.7752 | |
| 57 | N | A | -1.3942 | |
| 58 | L | A | 0.0000 | |
| 59 | T | A | -0.3667 | |
| 60 | C | A | -0.6685 | |
| 61 | S | A | -1.1332 | |
| 62 | D | A | -1.9601 | |
| 63 | G | A | 0.0000 | |
| 64 | P | A | -0.9068 | |
| 65 | S | A | 0.0000 | |
| 66 | L | A | 0.0000 | |
| 67 | I | A | 0.0000 | |
| 68 | K | A | -1.2602 | |
| 69 | H | A | 0.0000 | |
| 70 | E | A | 0.0000 | |
| 71 | L | A | 0.0000 | |
| 72 | D | A | -1.4875 | |
| 73 | L | A | 0.0000 | |
| 74 | V | A | 0.0000 | |
| 75 | K | A | -1.5756 | |
| 76 | S | A | -0.9616 | |
| 77 | A | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | R | A | -1.8923 | |
| 80 | E | A | 0.0000 | |
| 81 | L | A | 0.0000 | |
| 82 | K | A | -1.8962 | |
| 83 | T | A | 0.0000 | |
| 84 | V | A | -0.2665 | |
| 85 | S | A | 0.0000 | |
| 86 | A | A | 0.0000 | |
| 87 | D | A | -0.2807 | |
| 88 | Q | A | -0.8952 | |
| 89 | L | A | 0.0000 | |
| 90 | A | A | -1.1613 | |
| 91 | R | A | 0.0000 | |
| 92 | G | A | 0.0000 | |
| 93 | S | A | -0.4050 | |
| 94 | A | A | 0.0000 | |
| 95 | A | A | 0.0000 | |
| 96 | A | A | 0.2059 | |
| 97 | I | A | 0.3597 | |
| 98 | T | A | 0.0000 | |
| 99 | A | A | 0.1334 | |
| 100 | G | A | 0.1707 | |
| 101 | V | A | 0.0000 | |
| 102 | A | A | 0.0000 | |
| 103 | I | A | 0.0000 | |
| 104 | A | A | 0.0000 | |
| 105 | K | A | 0.0000 | |
| 106 | T | A | 0.7613 | |
| 107 | I | A | 1.1989 | |
| 108 | R | A | 0.6936 | |
| 109 | L | A | 1.5275 | |
| 110 | E | A | 0.4940 | |
| 111 | S | A | -0.2440 | |
| 112 | E | A | 0.4106 | |
| 113 | V | A | 1.6017 | |
| 114 | T | A | 1.2366 | |
| 115 | A | A | 0.2360 | |
| 116 | I | A | -0.9348 | |
| 117 | K | A | -2.3651 | |
| 118 | N | A | -2.0147 | |
| 119 | A | A | 0.0000 | |
| 120 | L | A | -0.1355 | |
| 121 | K | A | -0.8145 | |
| 122 | T | A | -1.5244 | |
| 123 | T | A | -1.5473 | |
| 124 | N | A | -2.3269 | |
| 125 | E | A | -2.5414 | |
| 126 | A | A | -1.6796 | |
| 127 | V | A | 0.0000 | |
| 128 | H | A | -1.1474 | |
| 129 | T | A | -0.1320 | |
| 130 | L | A | 0.8989 | |
| 131 | G | A | 0.3222 | |
| 132 | N | A | 0.0000 | |
| 133 | G | A | -0.0882 | |
| 134 | V | A | 0.0000 | |
| 135 | R | A | -0.2163 | |
| 136 | V | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | V | A | 0.0000 | |
| 139 | T | A | 0.0000 | |
| 140 | A | A | -1.3529 | |
| 141 | V | A | 0.0000 | |
| 142 | R | A | -2.3590 | |
| 143 | E | A | -1.4151 | |
| 144 | L | A | 0.0000 | |
| 145 | K | A | 0.0000 | |
| 146 | D | A | -1.2593 | |
| 147 | F | A | 0.0000 | |
| 148 | V | A | -1.0635 | |
| 149 | N | A | -1.6473 | |
| 150 | K | A | 0.0000 | |
| 151 | N | A | -1.3595 | |
| 152 | L | A | 0.0000 | |
| 153 | T | A | -1.3923 | |
| 154 | R | A | -2.6205 | |
| 155 | A | A | 0.0000 | |
| 156 | I | A | -0.5931 | |
| 157 | N | A | -2.5632 | |
| 158 | K | A | -3.0823 | |
| 159 | N | A | -3.0428 | |
| 160 | K | A | -2.7591 | |
| 161 | C | A | -2.0235 | |
| 162 | D | A | 0.0000 | |
| 163 | I | A | 0.0000 | |
| 164 | D | A | -1.9658 | |
| 165 | D | A | -2.5555 | |
| 166 | L | A | 0.0000 | |
| 167 | K | A | -1.6488 | |
| 168 | M | A | 0.0000 | |
| 169 | A | A | 0.0000 | |
| 170 | V | A | 0.0000 | |
| 171 | S | A | 0.0000 | |
| 172 | F | A | 0.0000 | |
| 173 | S | A | 0.0000 | |
| 174 | Q | A | 0.0000 | |
| 175 | F | A | 0.0000 | |
| 176 | N | A | 0.0000 | |
| 177 | R | A | 0.0000 | |
| 178 | R | A | 0.0000 | |
| 179 | F | A | 0.0000 | |
| 180 | L | A | 0.0000 | |
| 181 | N | A | -0.3369 | |
| 182 | V | A | 0.0000 | |
| 183 | V | A | 0.0000 | |
| 184 | R | A | -0.6287 | |
| 185 | Q | A | -0.6879 | |
| 186 | F | A | 0.0000 | |
| 187 | S | A | 0.0000 | |
| 188 | D | A | -1.2571 | |
| 189 | N | A | -1.1405 | |
| 190 | N | A | 0.0000 | |
| 191 | G | A | 0.0000 | |
| 192 | I | A | 0.0874 | |
| 193 | T | A | 0.0000 | |
| 194 | P | A | -0.9013 | |
| 195 | S | A | -0.9633 | |
| 196 | I | A | 0.0000 | |
| 197 | S | A | 0.0000 | |
| 198 | L | A | 0.0000 | |
| 199 | D | A | -0.5385 | |
| 200 | L | A | 0.0000 | |
| 201 | M | A | 0.0000 | |
| 202 | T | A | -0.6600 | |
| 203 | D | A | -1.3236 | |
| 204 | A | A | 0.0000 | |
| 205 | E | A | -1.6908 | |
| 206 | L | A | 0.0000 | |
| 207 | A | A | -1.3654 | |
| 208 | R | A | -2.4416 | |
| 209 | A | A | 0.0000 | |
| 210 | V | A | 0.0000 | |
| 211 | S | A | -1.8240 | |
| 212 | N | A | -2.1776 | |
| 213 | M | A | 0.0000 | |
| 214 | P | A | -0.7484 | |
| 215 | T | A | 0.0000 | |
| 216 | S | A | 0.2637 | |
| 217 | A | A | 0.0000 | |
| 218 | G | A | -0.7639 | |
| 219 | Q | A | -1.2905 | |
| 220 | I | A | 0.0000 | |
| 221 | K | A | -0.8788 | |
| 222 | L | A | 0.0000 | |
| 223 | M | A | 0.0000 | |
| 224 | L | A | -0.7135 | |
| 225 | E | A | -1.2434 | |
| 226 | N | A | 0.0000 | |
| 227 | R | A | -0.7697 | |
| 228 | A | A | 0.0000 | |
| 229 | M | A | 0.0000 | |
| 230 | V | A | 0.0000 | |
| 231 | R | A | 0.0000 | |
| 232 | R | A | 0.0000 | |
| 233 | K | A | -2.0982 | |
| 234 | G | A | 0.0000 | |
| 235 | F | A | -0.1035 | |
| 236 | G | A | 0.0000 | |
| 237 | I | A | 0.0000 | |
| 238 | L | A | 0.0000 | |
| 239 | I | A | 0.0000 | |
| 240 | G | A | -0.0883 | |
| 241 | V | A | 1.2174 | |
| 242 | Y | A | 1.1478 | |
| 243 | G | A | -0.1011 | |
| 244 | D | A | -1.1886 | |
| 245 | S | A | -0.5247 | |
| 246 | V | A | 0.0000 | |
| 247 | I | A | 0.0000 | |
| 248 | Y | A | 0.0000 | |
| 249 | T | A | 0.0000 | |
| 250 | V | A | 0.0000 | |
| 251 | Q | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | P | A | 0.0000 | |
| 254 | I | A | 0.0000 | |
| 255 | F | A | 0.1825 | |
| 256 | G | A | 0.1418 | |
| 257 | V | A | 0.0000 | |
| 258 | I | A | 0.0000 | |
| 259 | D | A | -1.2906 | |
| 260 | T | A | -0.9097 | |
| 261 | P | A | -0.7011 | |
| 262 | C | A | 0.0000 | |
| 263 | W | A | 0.0186 | |
| 264 | I | A | 0.0000 | |
| 265 | V | A | 0.0000 | |
| 266 | L | A | 0.0000 | |
| 267 | A | A | 0.0000 | |
| 268 | A | A | 0.0000 | |
| 269 | P | A | 0.0000 | |
| 270 | S | A | 0.0000 | |
| 271 | C | A | 0.0000 | |
| 272 | S | A | -1.8842 | |
| 273 | E | A | 0.0000 | |
| 274 | K | A | -2.6890 | |
| 275 | K | A | -1.7885 | |
| 276 | G | A | -1.5962 | |
| 277 | N | A | -2.5695 | |
| 278 | Y | A | 0.0000 | |
| 279 | I | A | 0.0000 | |
| 280 | C | A | 0.0000 | |
| 281 | L | A | 0.0000 | |
| 282 | L | A | 0.0000 | |
| 283 | R | A | 0.0000 | |
| 284 | E | A | -1.5196 | |
| 285 | D | A | -2.4732 | |
| 286 | Q | A | -2.0627 | |
| 287 | G | A | 0.0000 | |
| 288 | W | A | -0.3240 | |
| 289 | Y | A | 0.0000 | |
| 290 | C | A | 0.0000 | |
| 291 | Q | A | -0.6137 | |
| 292 | N | A | -1.0014 | |
| 293 | A | A | -0.8819 | |
| 294 | G | A | -0.6150 | |
| 295 | S | A | -0.6854 | |
| 296 | T | A | 0.0000 | |
| 297 | V | A | 0.0000 | |
| 298 | Y | A | 0.1886 | |
| 299 | Y | A | 0.0000 | |
| 300 | P | A | -0.9534 | |
| 301 | N | A | -1.4743 | |
| 302 | E | A | -2.4346 | |
| 303 | K | A | -2.3265 | |
| 304 | D | A | 0.0000 | |
| 305 | C | A | -0.5021 | |
| 306 | E | A | 0.0000 | |
| 307 | T | A | -0.1822 | |
| 308 | R | A | 0.0000 | |
| 309 | G | A | 0.0000 | |
| 310 | D | A | 0.0000 | |
| 311 | H | A | 0.0000 | |
| 312 | V | A | 0.0000 | |
| 313 | F | A | 0.0000 | |
| 314 | C | A | 0.0000 | |
| 315 | D | A | 0.0000 | |
| 316 | T | A | -0.4558 | |
| 317 | A | A | -0.5585 | |
| 318 | A | A | 0.0000 | |
| 319 | G | A | 0.0084 | |
| 320 | I | A | 0.6073 | |
| 321 | N | A | 0.0000 | |
| 322 | V | A | -0.0249 | |
| 323 | A | A | -0.3820 | |
| 324 | E | A | -0.7693 | |
| 325 | Q | A | -0.8078 | |
| 326 | S | A | -0.6944 | |
| 327 | K | A | -0.9907 | |
| 328 | E | A | -1.7700 | |
| 329 | C | A | 0.0016 | |
| 330 | N | A | -0.1733 | |
| 331 | I | A | 0.8307 | |
| 332 | N | A | -0.7823 | |
| 333 | I | A | 0.0000 | |
| 334 | S | A | -0.8534 | |
| 335 | T | A | 0.0000 | |
| 336 | T | A | -1.6175 | |
| 337 | N | A | -2.1652 | |
| 338 | Y | A | 0.0000 | |
| 339 | C | A | 0.0000 | |
| 340 | C | A | 0.0000 | |
| 341 | K | A | -0.8861 | |
| 342 | V | A | 0.0000 | |
| 343 | S | A | -0.5428 | |
| 344 | T | A | 0.0000 | |
| 345 | G | A | 0.0000 | |
| 346 | R | A | -0.7795 | |
| 347 | H | A | -0.5552 | |
| 348 | P | A | 0.0000 | |
| 349 | I | A | 0.0000 | |
| 350 | S | A | 0.0000 | |
| 351 | M | A | 0.0000 | |
| 352 | V | A | 0.0000 | |
| 353 | V | A | 0.0000 | |
| 354 | L | A | 0.0930 | |
| 355 | T | A | -0.0710 | |
| 356 | P | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | G | A | 0.0000 | |
| 359 | A | A | 0.0000 | |
| 360 | L | A | 0.0000 | |
| 361 | V | A | 0.0000 | |
| 362 | A | A | 0.0000 | |
| 363 | C | A | 0.0000 | |
| 364 | Y | A | -1.4448 | |
| 365 | K | A | -2.6109 | |
| 366 | G | A | -1.5611 | |
| 367 | V | A | -0.7110 | |
| 368 | S | A | -0.6077 | |
| 369 | C | A | 0.0000 | |
| 370 | S | A | -0.4537 | |
| 371 | I | A | 0.0000 | |
| 372 | G | A | 0.3943 | |
| 373 | S | A | 0.0000 | |
| 374 | N | A | -0.5912 | |
| 375 | R | A | -1.5224 | |
| 376 | V | A | 0.9036 | |
| 377 | G | A | 0.7553 | |
| 378 | I | A | 1.6668 | |
| 379 | I | A | 1.8966 | |
| 380 | K | A | -0.0719 | |
| 381 | Q | A | -1.0653 | |
| 382 | L | A | -0.9413 | |
| 383 | N | A | -1.8884 | |
| 384 | K | A | -2.6520 | |
| 385 | G | A | -1.5206 | |
| 386 | C | A | 0.0000 | |
| 387 | T | A | -0.7177 | |
| 388 | Y | A | 0.0000 | |
| 389 | I | A | 0.0000 | |
| 390 | T | A | -1.1320 | |
| 391 | N | A | 0.0000 | |
| 392 | Q | A | -1.7860 | |
| 393 | D | A | -1.2991 | |
| 394 | A | A | 0.0000 | |
| 395 | D | A | 0.0000 | |
| 396 | T | A | 0.0950 | |
| 397 | V | A | 0.0000 | |
| 398 | T | A | 0.0953 | |
| 399 | I | A | 0.0000 | |
| 400 | D | A | -0.7257 | |
| 401 | N | A | -0.4904 | |
| 402 | T | A | 0.2688 | |
| 403 | V | A | 0.8539 | |
| 404 | Y | A | 0.0000 | |
| 405 | Q | A | 0.0572 | |
| 406 | L | A | 0.0000 | |
| 407 | S | A | 0.0000 | |
| 408 | K | A | 0.0000 | |
| 409 | V | A | -0.5133 | |
| 410 | E | A | 0.0000 | |
| 411 | G | A | -1.8247 | |
| 412 | E | A | -2.9299 | |
| 413 | Q | A | -2.3645 | |
| 414 | H | A | -1.7394 | |
| 415 | V | A | -0.4021 | |
| 416 | I | A | -0.4969 | |
| 417 | K | A | -1.8775 | |
| 418 | G | A | -1.0247 | |
| 419 | R | A | 0.0000 | |
| 420 | P | A | 0.0000 | |
| 421 | V | A | 0.0000 | |
| 422 | S | A | 0.0000 | |
| 423 | S | A | -0.6642 | |
| 424 | S | A | -0.6032 | |
| 425 | F | A | 0.0000 | |
| 426 | D | A | -2.3919 | |
| 427 | P | A | -0.9366 | |
| 428 | I | A | -0.2254 | |
| 429 | K | A | -1.7709 | |
| 430 | F | A | -0.7341 | |
| 431 | P | A | -0.4098 | |
| 432 | Q | A | -0.2454 | |
| 433 | D | A | 0.0000 | |
| 434 | Q | A | 0.0000 | |
| 435 | F | A | 0.0000 | |
| 436 | N | A | 0.0000 | |
| 437 | V | A | 0.0000 | |
| 438 | C | A | 0.0000 | |
| 439 | L | A | 0.0000 | |
| 440 | D | A | -2.9901 | |
| 441 | Q | A | -2.0310 | |
| 442 | V | A | 0.0000 | |
| 443 | F | A | -0.2893 | |
| 444 | E | A | -1.8871 | |
| 445 | N | A | -2.4158 | |
| 446 | I | A | 0.0000 | |
| 447 | M | B | 0.0000 | |
| 448 | S | B | 0.0000 | |
| 449 | W | B | 0.0741 | |
| 450 | K | B | 1.2206 | |
| 451 | V | B | 3.0774 | |
| 452 | V | B | 3.3580 | |
| 453 | I | B | 3.4619 | |
| 454 | I | B | 3.6223 | |
| 455 | F | B | 0.0000 | |
| 456 | S | B | 0.0000 | |
| 457 | L | B | 2.3207 | |
| 458 | L | B | 0.0000 | |
| 459 | I | B | 1.7970 | |
| 460 | T | B | 0.2712 | |
| 461 | P | B | -0.9854 | |
| 462 | Q | B | -1.5495 | |
| 463 | H | B | -1.8881 | |
| 464 | G | B | -1.8166 | |
| 465 | L | B | 0.0000 | |
| 466 | K | B | -2.9985 | |
| 467 | E | B | 0.0000 | |
| 468 | S | B | 0.0000 | |
| 469 | Y | B | 0.0000 | |
| 470 | L | B | 0.0000 | |
| 471 | E | B | 0.0000 | |
| 472 | E | B | -2.8459 | |
| 473 | S | B | -1.4079 | |
| 474 | C | B | 0.0000 | |
| 475 | S | B | 0.0000 | |
| 476 | T | B | 0.0000 | |
| 477 | I | B | 0.0000 | |
| 478 | T | B | 0.0000 | |
| 479 | E | B | -1.4442 | |
| 480 | G | B | -1.1545 | |
| 481 | Y | B | 0.0000 | |
| 482 | L | B | -0.1270 | |
| 483 | S | B | 0.0000 | |
| 484 | V | B | 0.0000 | |
| 485 | L | B | 0.0000 | |
| 486 | R | B | -0.6696 | |
| 487 | T | B | -0.3811 | |
| 488 | G | B | 0.1807 | |
| 489 | W | B | 0.5537 | |
| 490 | Y | B | 0.0000 | |
| 491 | T | B | 0.0000 | |
| 492 | N | B | 0.0000 | |
| 493 | V | B | 0.0000 | |
| 494 | F | B | -0.1479 | |
| 495 | T | B | 0.0000 | |
| 496 | L | B | 0.0000 | |
| 497 | E | B | 0.0000 | |
| 498 | V | B | 0.0000 | |
| 499 | G | B | -1.0829 | |
| 500 | D | B | -1.7846 | |
| 501 | V | B | 0.0000 | |
| 502 | E | B | -2.6437 | |
| 503 | N | B | -2.5556 | |
| 504 | L | B | 0.0000 | |
| 505 | T | B | -1.9779 | |
| 506 | C | B | 0.0000 | |
| 507 | S | B | -1.6335 | |
| 508 | D | B | -1.4856 | |
| 509 | G | B | -1.1754 | |
| 510 | P | B | -0.7206 | |
| 511 | S | B | 0.0000 | |
| 512 | L | B | 0.0000 | |
| 513 | I | B | 0.0000 | |
| 514 | K | B | -1.5503 | |
| 515 | H | B | -1.2696 | |
| 516 | E | B | 0.0000 | |
| 517 | L | B | 0.0000 | |
| 518 | D | B | -2.7044 | |
| 519 | L | B | 0.0000 | |
| 520 | V | B | 0.0000 | |
| 521 | K | B | -2.3698 | |
| 522 | S | B | -2.0094 | |
| 523 | A | B | 0.0000 | |
| 524 | L | B | 0.0000 | |
| 525 | R | B | -3.0040 | |
| 526 | E | B | 0.0000 | |
| 527 | L | B | 0.0000 | |
| 528 | K | B | -2.0202 | |
| 529 | T | B | -1.4670 | |
| 530 | V | B | -0.4422 | |
| 531 | S | B | -0.5862 | |
| 532 | A | B | -0.5434 | |
| 533 | D | B | 0.0000 | |
| 534 | Q | B | -0.8637 | |
| 535 | L | B | 0.0000 | |
| 536 | A | B | -0.4548 | |
| 537 | R | B | -0.3901 | |
| 538 | G | B | 0.0000 | |
| 539 | S | B | -0.4313 | |
| 540 | A | B | -0.3910 | |
| 541 | A | B | 0.0276 | |
| 542 | A | B | 0.1541 | |
| 543 | I | B | 0.2820 | |
| 544 | T | B | 0.0000 | |
| 545 | A | B | 0.4411 | |
| 546 | G | B | 0.4635 | |
| 547 | V | B | 1.6746 | |
| 548 | A | B | 0.0000 | |
| 549 | I | B | 0.0000 | |
| 550 | A | B | -0.7649 | |
| 551 | K | B | -1.8044 | |
| 552 | T | B | -0.6303 | |
| 553 | I | B | -0.6315 | |
| 554 | R | B | -1.9374 | |
| 555 | L | B | -0.6281 | |
| 556 | E | B | -2.2031 | |
| 557 | S | B | -1.0238 | |
| 558 | E | B | -0.0743 | |
| 559 | V | B | 1.4399 | |
| 560 | T | B | 0.7683 | |
| 561 | A | B | 0.4952 | |
| 562 | I | B | 0.5083 | |
| 563 | K | B | -1.1379 | |
| 564 | N | B | -1.1963 | |
| 565 | A | B | -0.6776 | |
| 566 | L | B | 0.0900 | |
| 567 | K | B | -1.8306 | |
| 568 | T | B | 0.0000 | |
| 569 | T | B | -0.8580 | |
| 570 | N | B | -1.6675 | |
| 571 | E | B | -1.8190 | |
| 572 | A | B | -0.5101 | |
| 573 | V | B | 0.6087 | |
| 574 | H | B | -0.3963 | |
| 575 | T | B | -0.0484 | |
| 576 | L | B | 0.5557 | |
| 577 | G | B | -0.2000 | |
| 578 | N | B | 0.0000 | |
| 579 | G | B | 0.2020 | |
| 580 | V | B | 0.9254 | |
| 581 | R | B | 0.0000 | |
| 582 | V | B | 0.0000 | |
| 583 | L | B | 0.0000 | |
| 584 | V | B | 0.0000 | |
| 585 | T | B | 0.0000 | |
| 586 | A | B | 0.0000 | |
| 587 | V | B | 0.0000 | |
| 588 | R | B | 0.0000 | |
| 589 | E | B | 0.0000 | |
| 590 | L | B | 0.0000 | |
| 591 | K | B | -1.0889 | |
| 592 | D | B | -1.7137 | |
| 593 | F | B | 0.0000 | |
| 594 | V | B | -1.6209 | |
| 595 | N | B | -2.0279 | |
| 596 | K | B | -2.9546 | |
| 597 | N | B | -2.4605 | |
| 598 | L | B | 0.0000 | |
| 599 | T | B | 0.0000 | |
| 600 | R | B | -3.3300 | |
| 601 | A | B | -1.7918 | |
| 602 | I | B | 0.0000 | |
| 603 | N | B | -3.1502 | |
| 604 | K | B | -3.1940 | |
| 605 | N | B | -3.1275 | |
| 606 | K | B | -3.5630 | |
| 607 | C | B | 0.0000 | |
| 608 | D | B | -3.1797 | |
| 609 | I | B | -2.1036 | |
| 610 | D | B | -2.9565 | |
| 611 | D | B | -2.2316 | |
| 612 | L | B | 0.0000 | |
| 613 | K | B | 0.0000 | |
| 614 | M | B | 0.0000 | |
| 615 | A | B | 0.0000 | |
| 616 | V | B | 0.0000 | |
| 617 | S | B | 0.0000 | |
| 618 | F | B | 0.0000 | |
| 619 | S | B | 0.0000 | |
| 620 | Q | B | 0.0000 | |
| 621 | F | B | 0.0000 | |
| 622 | N | B | 0.0000 | |
| 623 | R | B | 0.0000 | |
| 624 | R | B | 0.0000 | |
| 625 | F | B | 0.0000 | |
| 626 | L | B | 0.0000 | |
| 627 | N | B | 0.0000 | |
| 628 | V | B | 0.0000 | |
| 629 | V | B | 0.0000 | |
| 630 | R | B | -0.9467 | |
| 631 | Q | B | -0.9747 | |
| 632 | F | B | 0.0000 | |
| 633 | S | B | 0.0000 | |
| 634 | D | B | -2.0247 | |
| 635 | N | B | -2.1864 | |
| 636 | N | B | -1.4963 | |
| 637 | G | B | -0.4645 | |
| 638 | I | B | 0.1259 | |
| 639 | T | B | 0.0000 | |
| 640 | P | B | -0.3816 | |
| 641 | S | B | 0.0000 | |
| 642 | I | B | 0.1347 | |
| 643 | S | B | 0.0000 | |
| 644 | L | B | 0.0000 | |
| 645 | D | B | 0.0000 | |
| 646 | L | B | 0.4402 | |
| 647 | M | B | 0.3766 | |
| 648 | T | B | 0.0000 | |
| 649 | D | B | -0.6757 | |
| 650 | A | B | -0.6490 | |
| 651 | E | B | -1.3490 | |
| 652 | L | B | 0.0000 | |
| 653 | A | B | -1.1843 | |
| 654 | R | B | -2.3139 | |
| 655 | A | B | -1.2066 | |
| 656 | V | B | 0.0000 | |
| 657 | S | B | -1.0201 | |
| 658 | N | B | -1.2113 | |
| 659 | M | B | -0.5212 | |
| 660 | P | B | -0.4891 | |
| 661 | T | B | -0.2130 | |
| 662 | S | B | -0.3983 | |
| 663 | A | B | -0.3393 | |
| 664 | G | B | -0.6523 | |
| 665 | Q | B | -0.9532 | |
| 666 | I | B | -0.7866 | |
| 667 | K | B | -1.6533 | |
| 668 | L | B | 0.0000 | |
| 669 | M | B | 0.0000 | |
| 670 | L | B | -1.2981 | |
| 671 | E | B | -2.3430 | |
| 672 | N | B | 0.0000 | |
| 673 | R | B | -1.3102 | |
| 674 | A | B | 0.0000 | |
| 675 | M | B | 0.0000 | |
| 676 | V | B | 0.0000 | |
| 677 | R | B | 0.0000 | |
| 678 | R | B | -1.3943 | |
| 679 | K | B | -0.6093 | |
| 680 | G | B | -0.2555 | |
| 681 | F | B | 0.2891 | |
| 682 | G | B | 0.0000 | |
| 683 | I | B | 0.0000 | |
| 684 | L | B | 0.0000 | |
| 685 | I | B | 0.0000 | |
| 686 | G | B | -0.1373 | |
| 687 | V | B | -0.1910 | |
| 688 | Y | B | 0.5836 | |
| 689 | G | B | -0.6265 | |
| 690 | D | B | -1.8315 | |
| 691 | S | B | -0.6889 | |
| 692 | V | B | 0.0000 | |
| 693 | I | B | 0.0000 | |
| 694 | Y | B | 0.0000 | |
| 695 | T | B | 0.0000 | |
| 696 | V | B | 0.0000 | |
| 697 | Q | B | 0.0000 | |
| 698 | L | B | 0.0000 | |
| 699 | P | B | 0.0000 | |
| 700 | I | B | 0.0000 | |
| 701 | F | B | 0.3028 | |
| 702 | G | B | -0.3480 | |
| 703 | V | B | 0.0000 | |
| 704 | I | B | -0.2732 | |
| 705 | D | B | -1.4945 | |
| 706 | T | B | 0.0000 | |
| 707 | P | B | -0.3251 | |
| 708 | C | B | 0.0000 | |
| 709 | W | B | -0.1130 | |
| 710 | I | B | 0.0000 | |
| 711 | V | B | 0.0000 | |
| 712 | L | B | 0.0000 | |
| 713 | A | B | 0.0000 | |
| 714 | A | B | 0.0467 | |
| 715 | P | B | 0.0000 | |
| 716 | S | B | 0.0000 | |
| 717 | C | B | 0.0000 | |
| 718 | S | B | -1.4156 | |
| 719 | E | B | 0.0000 | |
| 720 | K | B | -2.9150 | |
| 721 | K | B | -2.9457 | |
| 722 | G | B | -2.5202 | |
| 723 | N | B | -2.8396 | |
| 724 | Y | B | 0.0000 | |
| 725 | I | B | -0.6758 | |
| 726 | C | B | 0.0000 | |
| 727 | L | B | 0.0000 | |
| 728 | L | B | 0.5725 | |
| 729 | R | B | 0.0000 | |
| 730 | E | B | 0.0000 | |
| 731 | D | B | -0.8794 | |
| 732 | Q | B | -1.0237 | |
| 733 | G | B | 0.0000 | |
| 734 | W | B | 0.0000 | |
| 735 | Y | B | 0.0000 | |
| 736 | C | B | 0.0000 | |
| 737 | Q | B | 0.0000 | |
| 738 | N | B | -0.8281 | |
| 739 | A | B | -0.8327 | |
| 740 | G | B | -1.2101 | |
| 741 | S | B | 0.0000 | |
| 742 | T | B | 0.0000 | |
| 743 | V | B | 0.0000 | |
| 744 | Y | B | 0.0000 | |
| 745 | Y | B | 0.1537 | |
| 746 | P | B | -0.6389 | |
| 747 | N | B | -1.2740 | |
| 748 | E | B | -1.6753 | |
| 749 | K | B | -2.3888 | |
| 750 | D | B | -2.1287 | |
| 751 | C | B | 0.0000 | |
| 752 | E | B | 0.0000 | |
| 753 | T | B | 0.0000 | |
| 754 | R | B | -2.5677 | |
| 755 | G | B | -2.0097 | |
| 756 | D | B | -1.3916 | |
| 757 | H | B | -1.2328 | |
| 758 | V | B | 0.0000 | |
| 759 | F | B | 0.0000 | |
| 760 | C | B | 0.0000 | |
| 761 | D | B | -1.2065 | |
| 762 | T | B | 0.0000 | |
| 763 | A | B | -0.2933 | |
| 764 | A | B | 0.0000 | |
| 765 | G | B | 0.2518 | |
| 766 | I | B | 0.4701 | |
| 767 | N | B | 0.0000 | |
| 768 | V | B | 0.0000 | |
| 769 | A | B | -1.4188 | |
| 770 | E | B | -2.5027 | |
| 771 | Q | B | -1.6435 | |
| 772 | S | B | -1.0749 | |
| 773 | K | B | 0.0000 | |
| 774 | E | B | -0.4780 | |
| 775 | C | B | 0.0000 | |
| 776 | N | B | -0.5190 | |
| 777 | I | B | 0.0000 | |
| 778 | N | B | -0.1822 | |
| 779 | I | B | 1.5339 | |
| 780 | S | B | 0.3934 | |
| 781 | T | B | -0.3954 | |
| 782 | T | B | -0.8953 | |
| 783 | N | B | -1.9967 | |
| 784 | Y | B | 0.0000 | |
| 785 | C | B | 0.0000 | |
| 786 | C | B | 0.0000 | |
| 787 | K | B | -1.0321 | |
| 788 | V | B | 0.0000 | |
| 789 | S | B | 0.0000 | |
| 790 | T | B | 0.0000 | |
| 791 | G | B | 0.0000 | |
| 792 | R | B | 0.0000 | |
| 793 | H | B | -0.1984 | |
| 794 | P | B | 0.0000 | |
| 795 | I | B | 0.4741 | |
| 796 | S | B | 0.0000 | |
| 797 | M | B | 0.5214 | |
| 798 | V | B | 0.0000 | |
| 799 | V | B | 0.3614 | |
| 800 | L | B | 0.0000 | |
| 801 | T | B | 0.0000 | |
| 802 | P | B | 0.0000 | |
| 803 | L | B | 0.0000 | |
| 804 | G | B | 0.0000 | |
| 805 | A | B | 0.0000 | |
| 806 | L | B | 0.0000 | |
| 807 | V | B | 0.0000 | |
| 808 | A | B | 0.0000 | |
| 809 | C | B | 0.0000 | |
| 810 | Y | B | -0.8461 | |
| 811 | K | B | -2.7115 | |
| 812 | G | B | -1.2249 | |
| 813 | V | B | -0.2538 | |
| 814 | S | B | -0.6948 | |
| 815 | C | B | 0.0000 | |
| 816 | S | B | -1.0229 | |
| 817 | I | B | 0.0000 | |
| 818 | G | B | -0.9505 | |
| 819 | S | B | -1.0044 | |
| 820 | N | B | -1.2207 | |
| 821 | R | B | -1.2081 | |
| 822 | V | B | 0.0000 | |
| 823 | G | B | -0.6799 | |
| 824 | I | B | -0.2142 | |
| 825 | I | B | -0.5233 | |
| 826 | K | B | -1.9533 | |
| 827 | Q | B | -1.9690 | |
| 828 | L | B | 0.0000 | |
| 829 | N | B | -2.0649 | |
| 830 | K | B | -2.5042 | |
| 831 | G | B | -1.5005 | |
| 832 | C | B | -0.8829 | |
| 833 | T | B | -0.5994 | |
| 834 | Y | B | 0.0000 | |
| 835 | I | B | 0.0000 | |
| 836 | T | B | 0.0000 | |
| 837 | N | B | 0.0000 | |
| 838 | Q | B | 0.0000 | |
| 839 | D | B | -1.5124 | |
| 840 | A | B | -0.7303 | |
| 841 | D | B | 0.0000 | |
| 842 | T | B | 0.0000 | |
| 843 | V | B | 0.0000 | |
| 844 | T | B | -0.5132 | |
| 845 | I | B | -0.7019 | |
| 846 | D | B | -1.7483 | |
| 847 | N | B | 0.0000 | |
| 848 | T | B | -0.1908 | |
| 849 | V | B | 0.0405 | |
| 850 | Y | B | 0.3631 | |
| 851 | Q | B | 0.0000 | |
| 852 | L | B | 0.0000 | |
| 853 | S | B | 0.0000 | |
| 854 | K | B | 0.0000 | |
| 855 | V | B | 0.0000 | |
| 856 | E | B | 0.0000 | |
| 857 | G | B | 0.0000 | |
| 858 | E | B | -2.2686 | |
| 859 | Q | B | -1.1955 | |
| 860 | H | B | -1.2081 | |
| 861 | V | B | 0.1018 | |
| 862 | I | B | -0.4120 | |
| 863 | K | B | -1.7464 | |
| 864 | G | B | -2.1729 | |
| 865 | R | B | -2.9805 | |
| 866 | P | B | -1.8862 | |
| 867 | V | B | 0.0000 | |
| 868 | S | B | 0.0000 | |
| 869 | S | B | -0.6968 | |
| 870 | S | B | -0.6064 | |
| 871 | F | B | -0.3037 | |
| 872 | D | B | -0.9580 | |
| 873 | P | B | -0.6711 | |
| 874 | I | B | -0.6953 | |
| 875 | K | B | -1.6607 | |
| 876 | F | B | -0.6538 | |
| 877 | P | B | -0.6826 | |
| 878 | Q | B | 0.0000 | |
| 879 | D | B | 0.0000 | |
| 880 | Q | B | 0.0000 | |
| 881 | F | B | 0.5656 | |
| 882 | N | B | -0.3542 | |
| 883 | V | B | 0.0000 | |
| 884 | C | B | 0.0000 | |
| 885 | L | B | 0.0000 | |
| 886 | D | B | -2.1247 | |
| 887 | Q | B | -1.8624 | |
| 888 | V | B | 0.0000 | |
| 889 | F | B | -0.9362 | |
| 890 | E | B | -2.4805 | |
| 891 | N | B | -2.3769 | |
| 892 | I | B | -2.0906 | |
| 893 | M | C | 0.0000 | |
| 894 | S | C | -2.8214 | |
| 895 | W | C | -1.5472 | |
| 896 | K | C | -1.4482 | |
| 897 | V | C | -0.1920 | |
| 898 | V | C | 0.0000 | |
| 899 | I | C | 2.2061 | |
| 900 | I | C | 2.8551 | |
| 901 | F | C | 2.3237 | |
| 902 | S | C | 1.0248 | |
| 903 | L | C | 0.0000 | |
| 904 | L | C | 1.2305 | |
| 905 | I | C | 0.3811 | |
| 906 | T | C | -0.3188 | |
| 907 | P | C | -1.0032 | |
| 908 | Q | C | -1.8954 | |
| 909 | H | C | -1.8302 | |
| 910 | G | C | -1.3945 | |
| 911 | L | C | 0.0000 | |
| 912 | K | C | -1.3269 | |
| 913 | E | C | 0.0000 | |
| 914 | S | C | 0.0000 | |
| 915 | Y | C | 0.0000 | |
| 916 | L | C | 0.0000 | |
| 917 | E | C | 0.0000 | |
| 918 | E | C | -2.8734 | |
| 919 | S | C | -1.9211 | |
| 920 | C | C | 0.0000 | |
| 921 | S | C | 0.0000 | |
| 922 | T | C | 0.0000 | |
| 923 | I | C | 0.0000 | |
| 924 | T | C | 0.0000 | |
| 925 | E | C | -1.2044 | |
| 926 | G | C | -1.0863 | |
| 927 | Y | C | 0.0000 | |
| 928 | L | C | -0.5797 | |
| 929 | S | C | 0.0000 | |
| 930 | V | C | 0.0000 | |
| 931 | L | C | 0.3191 | |
| 932 | R | C | 0.0000 | |
| 933 | T | C | 0.1350 | |
| 934 | G | C | -0.0965 | |
| 935 | W | C | -0.0595 | |
| 936 | Y | C | 0.0000 | |
| 937 | T | C | 0.0000 | |
| 938 | N | C | 0.0000 | |
| 939 | V | C | 0.0000 | |
| 940 | F | C | 0.0697 | |
| 941 | T | C | 0.0000 | |
| 942 | L | C | 0.0000 | |
| 943 | E | C | -1.8117 | |
| 944 | V | C | 0.0000 | |
| 945 | G | C | -1.6912 | |
| 946 | D | C | -1.6216 | |
| 947 | V | C | 0.0000 | |
| 948 | E | C | 0.0000 | |
| 949 | N | C | -2.1375 | |
| 950 | L | C | 0.0000 | |
| 951 | T | C | -1.8999 | |
| 952 | C | C | 0.0000 | |
| 953 | S | C | -2.4692 | |
| 954 | D | C | -2.6865 | |
| 955 | G | C | -1.3318 | |
| 956 | P | C | -1.4382 | |
| 957 | S | C | 0.0000 | |
| 958 | L | C | 0.0000 | |
| 959 | I | C | 0.0000 | |
| 960 | K | C | -1.0014 | |
| 961 | H | C | -0.8968 | |
| 962 | E | C | 0.0000 | |
| 963 | L | C | 0.0000 | |
| 964 | D | C | -1.1188 | |
| 965 | L | C | 0.0000 | |
| 966 | V | C | 0.0000 | |
| 967 | K | C | -1.2189 | |
| 968 | S | C | -1.1892 | |
| 969 | A | C | 0.0000 | |
| 970 | L | C | 0.0000 | |
| 971 | R | C | -2.4025 | |
| 972 | E | C | -1.8205 | |
| 973 | L | C | 0.0000 | |
| 974 | K | C | -2.1713 | |
| 975 | T | C | 0.0000 | |
| 976 | V | C | 0.0000 | |
| 977 | S | C | 0.0000 | |
| 978 | A | C | -0.4614 | |
| 979 | D | C | -0.5809 | |
| 980 | Q | C | 0.0000 | |
| 981 | L | C | 0.0000 | |
| 982 | A | C | -0.7841 | |
| 983 | R | C | 0.0000 | |
| 984 | G | C | -0.5135 | |
| 985 | S | C | -0.4516 | |
| 986 | A | C | 0.0000 | |
| 987 | A | C | 0.0000 | |
| 988 | A | C | 0.0000 | |
| 989 | I | C | 0.5462 | |
| 990 | T | C | 0.0000 | |
| 991 | A | C | 0.0000 | |
| 992 | G | C | -0.5219 | |
| 993 | V | C | 0.0000 | |
| 994 | A | C | -0.1867 | |
| 995 | I | C | 0.0000 | |
| 996 | A | C | 0.0000 | |
| 997 | K | C | -1.0211 | |
| 998 | T | C | 0.0000 | |
| 999 | I | C | 0.0000 | |
| 1000 | R | C | -0.9992 | |
| 1001 | L | C | 0.0000 | |
| 1002 | E | C | -1.3267 | |
| 1003 | S | C | -1.0407 | |
| 1004 | E | C | -0.7807 | |
| 1005 | V | C | 0.9303 | |
| 1006 | T | C | 0.0000 | |
| 1007 | A | C | -0.2231 | |
| 1008 | I | C | 0.0000 | |
| 1009 | K | C | -1.1229 | |
| 1010 | N | C | -0.9392 | |
| 1011 | A | C | -0.8733 | |
| 1012 | L | C | -0.7482 | |
| 1013 | K | C | -1.7337 | |
| 1014 | T | C | -1.1194 | |
| 1015 | T | C | -1.3394 | |
| 1016 | N | C | -2.2057 | |
| 1017 | E | C | -2.2692 | |
| 1018 | A | C | -1.0388 | |
| 1019 | V | C | 0.0867 | |
| 1020 | H | C | -0.3809 | |
| 1021 | T | C | -0.3382 | |
| 1022 | L | C | -0.3426 | |
| 1023 | G | C | -0.5516 | |
| 1024 | N | C | -0.7580 | |
| 1025 | G | C | -0.4685 | |
| 1026 | V | C | 0.0000 | |
| 1027 | R | C | -0.5461 | |
| 1028 | V | C | 0.0000 | |
| 1029 | L | C | 0.0000 | |
| 1030 | V | C | 0.0000 | |
| 1031 | T | C | 0.0000 | |
| 1032 | A | C | -0.9365 | |
| 1033 | V | C | -1.0584 | |
| 1034 | R | C | -2.1952 | |
| 1035 | E | C | -1.2200 | |
| 1036 | L | C | 0.0000 | |
| 1037 | K | C | -1.0212 | |
| 1038 | D | C | -1.0725 | |
| 1039 | F | C | 0.0000 | |
| 1040 | V | C | -0.6170 | |
| 1041 | N | C | -1.6933 | |
| 1042 | K | C | -3.0007 | |
| 1043 | N | C | -3.0201 | |
| 1044 | L | C | 0.0000 | |
| 1045 | T | C | -2.5654 | |
| 1046 | R | C | -3.7874 | |
| 1047 | A | C | -3.1955 | |
| 1048 | I | C | 0.0000 | |
| 1049 | N | C | -3.9463 | |
| 1050 | K | C | -3.1242 | |
| 1051 | N | C | -3.3935 | |
| 1052 | K | C | -4.2457 | |
| 1053 | C | C | 0.0000 | |
| 1054 | D | C | -3.9749 | |
| 1055 | I | C | -2.8126 | |
| 1056 | D | C | -3.2216 | |
| 1057 | D | C | -2.7885 | |
| 1058 | L | C | 0.0000 | |
| 1059 | K | C | -1.5048 | |
| 1060 | M | C | 0.0000 | |
| 1061 | A | C | 0.0000 | |
| 1062 | V | C | 0.0000 | |
| 1063 | S | C | 0.0000 | |
| 1064 | F | C | 0.0000 | |
| 1065 | S | C | 0.0000 | |
| 1066 | Q | C | 0.0000 | |
| 1067 | F | C | 0.0000 | |
| 1068 | N | C | 0.0000 | |
| 1069 | R | C | 0.0000 | |
| 1070 | R | C | 0.0000 | |
| 1071 | F | C | 0.0000 | |
| 1072 | L | C | 0.0000 | |
| 1073 | N | C | -0.4212 | |
| 1074 | V | C | 0.0000 | |
| 1075 | V | C | 0.0000 | |
| 1076 | R | C | 0.0000 | |
| 1077 | Q | C | -1.0628 | |
| 1078 | F | C | 0.0000 | |
| 1079 | S | C | 0.0000 | |
| 1080 | D | C | 0.0000 | |
| 1081 | N | C | -2.0104 | |
| 1082 | N | C | -1.5363 | |
| 1083 | G | C | 0.0000 | |
| 1084 | I | C | -0.1053 | |
| 1085 | T | C | -0.2906 | |
| 1086 | P | C | 0.0000 | |
| 1087 | S | C | -0.2721 | |
| 1088 | I | C | -0.1073 | |
| 1089 | S | C | -0.3745 | |
| 1090 | L | C | 0.0000 | |
| 1091 | D | C | 0.0000 | |
| 1092 | L | C | 0.0000 | |
| 1093 | M | C | 0.0097 | |
| 1094 | T | C | -0.6537 | |
| 1095 | D | C | -1.0439 | |
| 1096 | A | C | 0.0000 | |
| 1097 | E | C | 0.0000 | |
| 1098 | L | C | 0.0000 | |
| 1099 | A | C | 0.0000 | |
| 1100 | R | C | -2.0370 | |
| 1101 | A | C | 0.0000 | |
| 1102 | V | C | 0.0000 | |
| 1103 | S | C | -1.0392 | |
| 1104 | N | C | -1.1076 | |
| 1105 | M | C | -0.3745 | |
| 1106 | P | C | -0.3372 | |
| 1107 | T | C | -0.2638 | |
| 1108 | S | C | -0.4773 | |
| 1109 | A | C | -0.5661 | |
| 1110 | G | C | -0.8999 | |
| 1111 | Q | C | -0.8339 | |
| 1112 | I | C | 0.0000 | |
| 1113 | K | C | -1.3074 | |
| 1114 | L | C | 0.0000 | |
| 1115 | M | C | 0.0000 | |
| 1116 | L | C | -0.9964 | |
| 1117 | E | C | -2.0862 | |
| 1118 | N | C | 0.0000 | |
| 1119 | R | C | -2.2610 | |
| 1120 | A | C | 0.0000 | |
| 1121 | M | C | 0.0000 | |
| 1122 | V | C | 0.0000 | |
| 1123 | R | C | -1.2527 | |
| 1124 | R | C | -1.7477 | |
| 1125 | K | C | 0.0000 | |
| 1126 | G | C | -0.9724 | |
| 1127 | F | C | 0.0000 | |
| 1128 | G | C | -0.1170 | |
| 1129 | I | C | 0.0000 | |
| 1130 | L | C | 0.0000 | |
| 1131 | I | C | 0.0000 | |
| 1132 | G | C | 0.0000 | |
| 1133 | V | C | -0.3570 | |
| 1134 | Y | C | -0.0519 | |
| 1135 | G | C | -1.1736 | |
| 1136 | D | C | -1.9636 | |
| 1137 | S | C | 0.0000 | |
| 1138 | V | C | 0.0000 | |
| 1139 | I | C | 0.0000 | |
| 1140 | Y | C | 0.0000 | |
| 1141 | T | C | 0.0000 | |
| 1142 | V | C | 0.0000 | |
| 1143 | Q | C | 0.0000 | |
| 1144 | L | C | 0.0000 | |
| 1145 | P | C | 0.0000 | |
| 1146 | I | C | 0.0000 | |
| 1147 | F | C | 0.0000 | |
| 1148 | G | C | -0.1435 | |
| 1149 | V | C | 0.2011 | |
| 1150 | I | C | -0.0551 | |
| 1151 | D | C | -1.4123 | |
| 1152 | T | C | -0.7994 | |
| 1153 | P | C | -0.7341 | |
| 1154 | C | C | 0.0000 | |
| 1155 | W | C | -0.7198 | |
| 1156 | I | C | 0.0000 | |
| 1157 | V | C | 0.0000 | |
| 1158 | L | C | 0.0000 | |
| 1159 | A | C | 0.0000 | |
| 1160 | A | C | 0.0000 | |
| 1161 | P | C | 0.0000 | |
| 1162 | S | C | 0.0000 | |
| 1163 | C | C | 0.0000 | |
| 1164 | S | C | 0.0000 | |
| 1165 | E | C | -4.0616 | |
| 1166 | K | C | -4.4362 | |
| 1167 | K | C | -3.8778 | |
| 1168 | G | C | -2.5941 | |
| 1169 | N | C | -3.0025 | |
| 1170 | Y | C | 0.0000 | |
| 1171 | I | C | 0.0000 | |
| 1172 | C | C | 0.0000 | |
| 1173 | L | C | 0.0000 | |
| 1174 | L | C | -0.2641 | |
| 1175 | R | C | 0.0000 | |
| 1176 | E | C | -1.2270 | |
| 1177 | D | C | 0.0000 | |
| 1178 | Q | C | 0.0000 | |
| 1179 | G | C | 0.0000 | |
| 1180 | W | C | 0.0000 | |
| 1181 | Y | C | 0.0000 | |
| 1182 | C | C | 0.0000 | |
| 1183 | Q | C | -1.2540 | |
| 1184 | N | C | -1.1387 | |
| 1185 | A | C | -0.8648 | |
| 1186 | G | C | -0.9036 | |
| 1187 | S | C | 0.0000 | |
| 1188 | T | C | 0.0000 | |
| 1189 | V | C | 0.0000 | |
| 1190 | Y | C | 0.3821 | |
| 1191 | Y | C | 0.1109 | |
| 1192 | P | C | -0.8888 | |
| 1193 | N | C | -2.0144 | |
| 1194 | E | C | -2.0070 | |
| 1195 | K | C | -2.7003 | |
| 1196 | D | C | -3.0252 | |
| 1197 | C | C | 0.0000 | |
| 1198 | E | C | 0.0000 | |
| 1199 | T | C | 0.0000 | |
| 1200 | R | C | -1.5903 | |
| 1201 | G | C | -1.5743 | |
| 1202 | D | C | -2.1391 | |
| 1203 | H | C | -1.4628 | |
| 1204 | V | C | 0.0000 | |
| 1205 | F | C | 0.0000 | |
| 1206 | C | C | 0.0000 | |
| 1207 | D | C | 0.0000 | |
| 1208 | T | C | 0.0000 | |
| 1209 | A | C | 0.1724 | |
| 1210 | A | C | 0.0612 | |
| 1211 | G | C | -0.2437 | |
| 1212 | I | C | 0.1604 | |
| 1213 | N | C | 0.0000 | |
| 1214 | V | C | 0.1059 | |
| 1215 | A | C | 0.0000 | |
| 1216 | E | C | -0.7847 | |
| 1217 | Q | C | -1.4983 | |
| 1218 | S | C | 0.0000 | |
| 1219 | K | C | -1.5272 | |
| 1220 | E | C | -0.7364 | |
| 1221 | C | C | 0.0000 | |
| 1222 | N | C | 0.0000 | |
| 1223 | I | C | 0.2747 | |
| 1224 | N | C | -0.2201 | |
| 1225 | I | C | 0.0000 | |
| 1226 | S | C | -0.6109 | |
| 1227 | T | C | -0.9256 | |
| 1228 | T | C | -1.0215 | |
| 1229 | N | C | -1.1522 | |
| 1230 | Y | C | -0.7842 | |
| 1231 | C | C | 0.0000 | |
| 1232 | C | C | 0.0000 | |
| 1233 | K | C | -1.0286 | |
| 1234 | V | C | 0.0000 | |
| 1235 | S | C | -0.8141 | |
| 1236 | T | C | 0.0000 | |
| 1237 | G | C | 0.0000 | |
| 1238 | R | C | -0.5287 | |
| 1239 | H | C | -0.4282 | |
| 1240 | P | C | 0.0000 | |
| 1241 | I | C | 0.0000 | |
| 1242 | S | C | 0.0000 | |
| 1243 | M | C | 0.0000 | |
| 1244 | V | C | 0.0000 | |
| 1245 | V | C | 0.0000 | |
| 1246 | L | C | 0.0000 | |
| 1247 | T | C | 0.0000 | |
| 1248 | P | C | 0.0000 | |
| 1249 | L | C | 0.0000 | |
| 1250 | G | C | 0.0000 | |
| 1251 | A | C | 0.0000 | |
| 1252 | L | C | 0.0000 | |
| 1253 | V | C | 0.0000 | |
| 1254 | A | C | 0.0000 | |
| 1255 | C | C | 0.0000 | |
| 1256 | Y | C | 0.0000 | |
| 1257 | K | C | -3.1839 | |
| 1258 | G | C | 0.0000 | |
| 1259 | V | C | 0.0000 | |
| 1260 | S | C | -1.3473 | |
| 1261 | C | C | 0.0000 | |
| 1262 | S | C | -0.6193 | |
| 1263 | I | C | 0.0000 | |
| 1264 | G | C | -0.3080 | |
| 1265 | S | C | 0.0000 | |
| 1266 | N | C | -1.6937 | |
| 1267 | R | C | -2.1010 | |
| 1268 | V | C | 0.3628 | |
| 1269 | G | C | -0.0230 | |
| 1270 | I | C | 0.2640 | |
| 1271 | I | C | 1.3651 | |
| 1272 | K | C | 0.0000 | |
| 1273 | Q | C | -1.3988 | |
| 1274 | L | C | 0.0000 | |
| 1275 | N | C | -2.7366 | |
| 1276 | K | C | -3.3283 | |
| 1277 | G | C | -2.1189 | |
| 1278 | C | C | 0.0000 | |
| 1279 | T | C | 0.0000 | |
| 1280 | Y | C | 0.0000 | |
| 1281 | I | C | 0.0000 | |
| 1282 | T | C | 0.0000 | |
| 1283 | N | C | -1.7838 | |
| 1284 | Q | C | -1.8941 | |
| 1285 | D | C | -2.1968 | |
| 1286 | A | C | 0.0000 | |
| 1287 | D | C | -1.5037 | |
| 1288 | T | C | 0.0000 | |
| 1289 | V | C | 0.0000 | |
| 1290 | T | C | -0.3435 | |
| 1291 | I | C | 0.0000 | |
| 1292 | D | C | -0.8819 | |
| 1293 | N | C | -0.6322 | |
| 1294 | T | C | 0.0000 | |
| 1295 | V | C | 0.1991 | |
| 1296 | Y | C | 0.0000 | |
| 1297 | Q | C | -0.4580 | |
| 1298 | L | C | -0.5927 | |
| 1299 | S | C | -1.2147 | |
| 1300 | K | C | -1.6217 | |
| 1301 | V | C | 0.0000 | |
| 1302 | E | C | -1.2022 | |
| 1303 | G | C | 0.0000 | |
| 1304 | E | C | -0.3812 | |
| 1305 | Q | C | 0.0000 | |
| 1306 | H | C | 0.0928 | |
| 1307 | V | C | 0.6338 | |
| 1308 | I | C | 0.1452 | |
| 1309 | K | C | -1.6691 | |
| 1310 | G | C | -2.0918 | |
| 1311 | R | C | -2.5831 | |
| 1312 | P | C | -1.8333 | |
| 1313 | V | C | -0.8970 | |
| 1314 | S | C | -0.7691 | |
| 1315 | S | C | 0.0000 | |
| 1316 | S | C | -0.6886 | |
| 1317 | F | C | 0.0000 | |
| 1318 | D | C | -1.9735 | |
| 1319 | P | C | -0.6614 | |
| 1320 | I | C | 0.2083 | |
| 1321 | K | C | -1.4636 | |
| 1322 | F | C | 0.0000 | |
| 1323 | P | C | 0.0000 | |
| 1324 | Q | C | -0.7123 | |
| 1325 | D | C | -0.8296 | |
| 1326 | Q | C | 0.0000 | |
| 1327 | F | C | 0.0000 | |
| 1328 | N | C | -1.4276 | |
| 1329 | V | C | 0.0000 | |
| 1330 | C | C | 0.0000 | |
| 1331 | L | C | 0.0000 | |
| 1332 | D | C | -1.3147 | |
| 1333 | Q | C | -1.2908 | |
| 1334 | V | C | 0.0000 | |
| 1335 | F | C | 0.0000 | |
| 1336 | E | C | -2.3592 | |
| 1337 | N | C | -2.0113 | |
| 1338 | I | C | -0.7395 |
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 | -0.4228 | 4.9882 | View | CSV | PDB |
| 4.5 | -0.4579 | 4.9603 | View | CSV | PDB |
| 5.0 | -0.5005 | 4.9219 | View | CSV | PDB |
| 5.5 | -0.5407 | 4.878 | View | CSV | PDB |
| 6.0 | -0.5687 | 4.8321 | View | CSV | PDB |
| 6.5 | -0.5792 | 4.7855 | View | CSV | PDB |
| 7.0 | -0.5741 | 4.7387 | View | CSV | PDB |
| 7.5 | -0.559 | 4.6921 | View | CSV | PDB |
| 8.0 | -0.5383 | 4.6461 | View | CSV | PDB |
| 8.5 | -0.5135 | 4.6021 | View | CSV | PDB |
| 9.0 | -0.4835 | 4.5634 | 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