| Chain sequence(s) |
A: MPAVSLPPKENALFKRILRCYEHKQYRNGLKFCKQILSNPKFAEHGETLAMKGLTLNCLGKKEEAYELVRRGLRNDLKSHVCWHVYGLLQRSDKKYDEAIKCYRNALKWDKDNLQILRDLSLLQIQMRDLEGYRETRYQLLQLRPAQRASWIGYAIAYHLLEDYEMAAKILEEFRKTQQTSPDKVDYEYSELLLYQNQVLREAGLYREALEHLCTYEKQICDKLAVEETKGELLLQLCRLEDAADVYRGLQERNPENWAYYKGLEKALKPANMLERLKIYEEAWTKYPRGLVPRRLPLNFLSGEKFKECLDKFLRMNFSKGCPPVFNTLRSLYKDKEKVAIIEELVVGYETSLKSCRLFNPNDDGKEEPPTTLLWVQYYLAQHYDKIGQPSIALEYINTAIESTPTLIELFLVKAKIYKHAGNIKEAARWMDEAQALDTADRFINSKCAKYMLKANLIKEAEEMCSKFTREGTSAVENLNEMQCMWFQTECAQAYKAMNKFGEALKKCHEIERHFIEITDDQFDFHTYCMRKITLRSYVDLLKLEDVLRQHPFYFKAARIAIEIYLKLHDNPEELIPEKLAKVETPLEEAIKFLTPLKNLVKNKIETHLFAFEIYFRKEKFLLMLQSVKRAFAIDSSHPWLHECMIRLFNTAVCESKDLSDTVRTVLKQEMNRLTNPKNFNETFLKRNSDSLPHRLSAAKMVYYLDPSSQKRAIELATTLDESLTNRNLQTCMEVLEALYDGSLGDCKEAAEIYRANCHKLFPYALAFMPP
C: AVSLPPKENALFKRILRCYEHKQYRNGLKFCKQILSNPKFAEHGETLAMKGLTLNCLGKKEEAYELVRRGLRNDLKSHVCWHVYGLLQRSDKKYDEAIKCYRNALKWDKDNLQILRDLSLLQIQMRDLEGYRETRYQLLQLRPAQRASWIGYAIAYHLLEDYEMAAKILEEFRKTQQTSPDKVDYEYSELLLYQNQVLREAGLYREALEHLCTYEKQICDKLAVEETKGELLLQLCRLEDAADVYRGLQERNPENWAYYKGLEKALKPANMLERLKIYEEAWTKYPRGLVPRRLPLNFLSGEKFKECLDKFLRMNFSKGCPPVFNTLRSLYKDKEKVAIIEELVVGYETSLKSCRLFNPNDDGKEEPPTTLLWVQYYLAQHYDKIGQPSIALEYINTAIESTPTLIELFLVKAKIYKHAGNIKEAARWMDEAQALDTADRFINSKCAKYMLKANLIKEAEEMCSKFTREGTSAVENLNEMQCMWFQTECAQAYKAMNKFGEALKKCHEIERHFIEITDDQFDFHTYCMRKITLRSYVDLLKLEDVLRQHPFYFKAARIAIEIYLKLHDNPLEELIPEKLAKVETPLEEAIKFLTPLKNLVKNKIETHLFAFEIYFRKEKFLLMLQSVKRAFAIDSSHPWLHECMIRLFNTAVCESKDLSDTVRTVLKQEMNRLFGATNPKNFNETFLKRNSDSLPHRLSAAKMVYYLDPSSQKRAIELATTLDESLTNRNLQTCMEVLEALYDGSLGDCKEAAEIYRANCHKLFPYALAFMPP B: MNIRNARPEDLMNMQHCNLLCLPENYQMKYYFYHGLSWPQLSYIAEDENGKIVGYVLAKMEEDPDDVPHGHITSLAVKRSHRRLGLAQKLMDQASRAMIENFNAKYVSLHVRKSNRAALHLYSNTLNFQISEVEPKYYADGEDAYAMKRDLTQMADELRR D: MNIRNARPEDLMNMQHCNLLCLPENYQMKYYFYHGLSWPQLSYIAEDENGKIVGYVLAKMEEDPDDVPHGHITSLAVKRSHRRLGLAQKLMDQASRAMIENFNAKYVSLHVRKSNRAALHLYSNTLNFQISEVEPKYYADGEDAYAMKRDLTQMADELRR input PDB |
| Selected Chain(s) | A,C,B,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | SP37B |
| Energy difference between WT (input) and mutated protein (by FoldX) | 5.13267 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:11)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:11)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:11)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:11)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:19)
[INFO] FoldX: Starting FoldX energy minimization (00:00:20)
[INFO] FoldX: Building mutant model (01:01:23)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (01:02:18)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b3c3edd05d05af7/tmp/folded.pdb (01:02:18)
[INFO] Main: Simulation completed successfully. (01:26:04)
|
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 | -0.0540 | |
| 2 | P | A | -0.1931 | |
| 3 | A | A | -0.4209 | |
| 4 | V | A | 0.0000 | |
| 5 | S | A | -0.2919 | |
| 6 | L | A | -0.4138 | |
| 7 | P | A | -0.6388 | |
| 8 | P | A | -0.9569 | |
| 9 | K | A | -1.3761 | |
| 10 | E | A | -1.3057 | |
| 11 | N | A | -1.1139 | |
| 12 | A | A | -1.0007 | |
| 13 | L | A | -1.2245 | |
| 14 | F | A | 0.0000 | |
| 15 | K | A | -1.6346 | |
| 16 | R | A | -1.6653 | |
| 17 | I | A | 0.0000 | |
| 18 | L | A | -1.6476 | |
| 19 | R | A | -3.0353 | |
| 20 | C | A | 0.0000 | |
| 21 | Y | A | -2.1870 | |
| 22 | E | A | -3.0556 | |
| 23 | H | A | -2.7794 | |
| 24 | K | A | -2.9578 | |
| 25 | Q | A | 0.0000 | |
| 26 | Y | A | -1.7975 | |
| 27 | R | A | -2.1557 | |
| 28 | N | A | 0.0000 | |
| 29 | G | A | 0.0000 | |
| 30 | L | A | -1.4724 | |
| 31 | K | A | -2.0911 | |
| 32 | F | A | 0.0000 | |
| 33 | C | A | 0.0000 | |
| 34 | K | A | -2.6290 | |
| 35 | Q | A | -2.3223 | |
| 36 | I | A | 0.0000 | |
| 37 | L | A | -1.6554 | |
| 38 | S | A | -1.6541 | |
| 39 | N | A | -1.7694 | |
| 40 | P | A | -1.5212 | |
| 41 | K | A | -2.1969 | |
| 42 | F | A | 0.0000 | |
| 43 | A | A | -1.6060 | |
| 44 | E | A | -2.2188 | |
| 45 | H | A | -1.5061 | |
| 46 | G | A | 0.0000 | |
| 47 | E | A | 0.0000 | |
| 48 | T | A | 0.0000 | |
| 49 | L | A | 0.0000 | |
| 50 | A | A | 0.0000 | |
| 51 | M | A | 0.0000 | |
| 52 | K | A | -0.7526 | |
| 53 | G | A | 0.0000 | |
| 54 | L | A | 0.0000 | |
| 55 | T | A | 0.0000 | |
| 56 | L | A | 0.0000 | |
| 57 | N | A | -1.2977 | |
| 58 | C | A | -0.2624 | |
| 59 | L | A | -0.4628 | |
| 60 | G | A | -1.4844 | |
| 61 | K | A | -2.6875 | |
| 62 | K | A | -2.9141 | |
| 63 | E | A | -3.7461 | |
| 64 | E | A | -3.9311 | |
| 65 | A | A | 0.0000 | |
| 66 | Y | A | -2.8251 | |
| 67 | E | A | -3.7011 | |
| 68 | L | A | 0.0000 | |
| 69 | V | A | 0.0000 | |
| 70 | R | A | -3.2368 | |
| 71 | R | A | -3.7589 | |
| 72 | G | A | 0.0000 | |
| 73 | L | A | 0.0000 | |
| 74 | R | A | -3.5864 | |
| 75 | N | A | -3.3874 | |
| 76 | D | A | -2.9156 | |
| 77 | L | A | -1.6703 | |
| 78 | K | A | -2.3051 | |
| 79 | S | A | 0.0000 | |
| 80 | H | A | 0.0000 | |
| 81 | V | A | 0.0000 | |
| 82 | C | A | 0.0000 | |
| 83 | W | A | -1.0239 | |
| 84 | H | A | -0.4428 | |
| 85 | V | A | 0.0000 | |
| 86 | Y | A | -0.3292 | |
| 87 | G | A | 0.0000 | |
| 88 | L | A | -0.1290 | |
| 89 | L | A | 0.0000 | |
| 90 | Q | A | 0.0000 | |
| 91 | R | A | -2.1068 | |
| 92 | S | A | -1.4107 | |
| 93 | D | A | -2.0318 | |
| 94 | K | A | -3.0687 | |
| 95 | K | A | -2.7971 | |
| 96 | Y | A | 0.0000 | |
| 97 | D | A | -3.1023 | |
| 98 | E | A | -2.8739 | |
| 99 | A | A | 0.0000 | |
| 100 | I | A | 0.0000 | |
| 101 | K | A | -2.5280 | |
| 102 | C | A | 0.0000 | |
| 103 | Y | A | 0.0000 | |
| 104 | R | A | -2.7818 | |
| 105 | N | A | -2.1179 | |
| 106 | A | A | 0.0000 | |
| 107 | L | A | -2.4208 | |
| 108 | K | A | -2.6186 | |
| 109 | W | A | -1.5381 | |
| 110 | D | A | -2.3860 | |
| 111 | K | A | -3.2558 | |
| 112 | D | A | -2.8990 | |
| 113 | N | A | -1.9356 | |
| 114 | L | A | -1.5510 | |
| 115 | Q | A | -1.6958 | |
| 116 | I | A | 0.0000 | |
| 117 | L | A | 0.0000 | |
| 118 | R | A | -1.9040 | |
| 119 | D | A | -1.1679 | |
| 120 | L | A | 0.0000 | |
| 121 | S | A | 0.0000 | |
| 122 | L | A | -0.4106 | |
| 123 | L | A | 0.0000 | |
| 124 | Q | A | 0.0000 | |
| 125 | I | A | 0.0000 | |
| 126 | Q | A | 0.0000 | |
| 127 | M | A | -0.1922 | |
| 128 | R | A | -0.7482 | |
| 129 | D | A | -1.4314 | |
| 130 | L | A | -1.3705 | |
| 131 | E | A | -2.5518 | |
| 132 | G | A | -1.9830 | |
| 133 | Y | A | 0.0000 | |
| 134 | R | A | -2.0127 | |
| 135 | E | A | -2.5140 | |
| 136 | T | A | 0.0000 | |
| 137 | R | A | 0.0000 | |
| 138 | Y | A | -0.7437 | |
| 139 | Q | A | -1.2989 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | Q | A | -0.6979 | |
| 143 | L | A | -0.7482 | |
| 144 | R | A | -1.3322 | |
| 145 | P | A | 0.0000 | |
| 146 | A | A | -0.8243 | |
| 147 | Q | A | -1.4441 | |
| 148 | R | A | -1.7081 | |
| 149 | A | A | -1.1768 | |
| 150 | S | A | 0.0000 | |
| 151 | W | A | 0.0000 | |
| 152 | I | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | Y | A | 0.0000 | |
| 155 | A | A | 0.0000 | |
| 156 | I | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | Y | A | 0.0000 | |
| 159 | H | A | 0.0000 | |
| 160 | L | A | -0.7963 | |
| 161 | L | A | -1.0223 | |
| 162 | E | A | -2.2896 | |
| 163 | D | A | -2.0265 | |
| 164 | Y | A | -2.0630 | |
| 165 | E | A | -2.6312 | |
| 166 | M | A | -1.8002 | |
| 167 | A | A | 0.0000 | |
| 168 | A | A | -1.5982 | |
| 169 | K | A | -2.3435 | |
| 170 | I | A | 0.0000 | |
| 171 | L | A | 0.0000 | |
| 172 | E | A | -1.2844 | |
| 173 | E | A | 0.0000 | |
| 174 | F | A | 0.0000 | |
| 175 | R | A | 0.0000 | |
| 176 | K | A | -1.6149 | |
| 177 | T | A | -1.0950 | |
| 178 | Q | A | -1.6034 | |
| 179 | Q | A | -1.8211 | |
| 180 | T | A | -1.5958 | |
| 181 | S | A | -1.3185 | |
| 182 | P | A | -1.3791 | |
| 183 | D | A | -2.2985 | |
| 184 | K | A | -1.8066 | |
| 185 | V | A | -0.6806 | |
| 186 | D | A | -1.6980 | |
| 187 | Y | A | -0.7494 | |
| 188 | E | A | -1.0197 | |
| 189 | Y | A | 0.0000 | |
| 190 | S | A | 0.0000 | |
| 191 | E | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | L | A | 0.0000 | |
| 194 | L | A | 0.0000 | |
| 195 | Y | A | 0.0000 | |
| 196 | Q | A | 0.0000 | |
| 197 | N | A | 0.0000 | |
| 198 | Q | A | -0.4857 | |
| 199 | V | A | 0.0000 | |
| 200 | L | A | -1.2336 | |
| 201 | R | A | -1.2094 | |
| 202 | E | A | -1.5417 | |
| 203 | A | A | -1.2747 | |
| 204 | G | A | -0.9991 | |
| 205 | L | A | -1.0680 | |
| 206 | Y | A | -1.6510 | |
| 207 | R | A | -2.9297 | |
| 208 | E | A | -2.8162 | |
| 209 | A | A | 0.0000 | |
| 210 | L | A | 0.0000 | |
| 211 | E | A | -2.6138 | |
| 212 | H | A | 0.0000 | |
| 213 | L | A | 0.0000 | |
| 214 | C | A | -0.6168 | |
| 215 | T | A | -0.6646 | |
| 216 | Y | A | -0.8558 | |
| 217 | E | A | -1.5370 | |
| 218 | K | A | -2.1156 | |
| 219 | Q | A | -1.8290 | |
| 220 | I | A | 0.0000 | |
| 221 | C | A | -1.1256 | |
| 222 | D | A | 0.0000 | |
| 223 | K | A | -1.0921 | |
| 224 | L | A | -0.6071 | |
| 225 | A | A | -0.5191 | |
| 226 | V | A | 0.0000 | |
| 227 | E | A | -1.4275 | |
| 228 | E | A | -1.2247 | |
| 229 | T | A | -1.1456 | |
| 230 | K | A | -1.2694 | |
| 231 | G | A | 0.0000 | |
| 232 | E | A | -1.7616 | |
| 233 | L | A | 0.0000 | |
| 234 | L | A | 0.0000 | |
| 235 | L | A | -1.3586 | |
| 236 | Q | A | -1.4239 | |
| 237 | L | A | -0.6453 | |
| 238 | C | A | -0.2816 | |
| 239 | R | A | -1.5971 | |
| 240 | L | A | -1.7900 | |
| 241 | E | A | -2.6045 | |
| 242 | D | A | -2.8224 | |
| 243 | A | A | 0.0000 | |
| 244 | A | A | 0.0000 | |
| 245 | D | A | -3.1776 | |
| 246 | V | A | 0.0000 | |
| 247 | Y | A | 0.0000 | |
| 248 | R | A | -3.1487 | |
| 249 | G | A | -2.3802 | |
| 250 | L | A | 0.0000 | |
| 251 | Q | A | 0.0000 | |
| 252 | E | A | -2.6815 | |
| 253 | R | A | -1.4089 | |
| 254 | N | A | 0.0000 | |
| 255 | P | A | -1.2131 | |
| 256 | E | A | 0.0000 | |
| 257 | N | A | 0.0000 | |
| 258 | W | A | 0.1372 | |
| 259 | A | A | -0.1227 | |
| 260 | Y | A | 0.0000 | |
| 261 | Y | A | 0.0000 | |
| 262 | K | A | -1.0395 | |
| 263 | G | A | 0.0000 | |
| 264 | L | A | 0.0000 | |
| 265 | E | A | -1.6615 | |
| 266 | K | A | -2.0493 | |
| 267 | A | A | 0.0000 | |
| 268 | L | A | -0.8947 | |
| 269 | K | A | -2.1525 | |
| 270 | P | A | -1.6841 | |
| 271 | A | A | -1.0535 | |
| 272 | N | A | -1.4189 | |
| 273 | M | A | -0.4175 | |
| 274 | L | A | -0.6811 | |
| 275 | E | A | -1.7426 | |
| 276 | R | A | -1.5684 | |
| 277 | L | A | 0.0000 | |
| 278 | K | A | -2.5016 | |
| 279 | I | A | -1.5643 | |
| 280 | Y | A | 0.0000 | |
| 281 | E | A | -2.7558 | |
| 282 | E | A | -3.1629 | |
| 283 | A | A | 0.0000 | |
| 284 | W | A | 0.0000 | |
| 285 | T | A | -2.0350 | |
| 286 | K | A | -2.9331 | |
| 287 | Y | A | 0.0000 | |
| 288 | P | A | -1.9742 | |
| 289 | R | A | -2.2470 | |
| 290 | G | A | 0.0000 | |
| 291 | L | A | -0.4701 | |
| 292 | V | A | 0.0000 | |
| 293 | P | A | 0.0000 | |
| 294 | R | A | -1.0136 | |
| 295 | R | A | 0.0000 | |
| 296 | L | A | 0.0000 | |
| 297 | P | A | 0.0000 | |
| 298 | L | A | 0.0000 | |
| 299 | N | A | -0.8078 | |
| 300 | F | A | -0.0984 | |
| 301 | L | A | 0.0000 | |
| 302 | S | A | -1.5509 | |
| 303 | G | A | -2.1831 | |
| 304 | E | A | -3.0701 | |
| 305 | K | A | -2.4307 | |
| 306 | F | A | 0.0000 | |
| 307 | K | A | -2.7388 | |
| 308 | E | A | -3.3732 | |
| 309 | C | A | 0.0000 | |
| 310 | L | A | 0.0000 | |
| 311 | D | A | -1.9417 | |
| 312 | K | A | -2.0426 | |
| 313 | F | A | 0.0000 | |
| 314 | L | A | 0.0000 | |
| 315 | R | A | -0.8702 | |
| 316 | M | A | -0.4834 | |
| 317 | N | A | 0.0000 | |
| 318 | F | A | 0.0000 | |
| 319 | S | A | -0.6656 | |
| 320 | K | A | -1.2902 | |
| 321 | G | A | 0.0000 | |
| 322 | C | A | 0.0000 | |
| 323 | P | A | 0.0000 | |
| 324 | P | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | F | A | 0.0000 | |
| 327 | N | A | -0.4512 | |
| 328 | T | A | 0.0000 | |
| 329 | L | A | 0.0000 | |
| 330 | R | A | -1.1886 | |
| 331 | S | A | -1.2344 | |
| 332 | L | A | 0.0000 | |
| 333 | Y | A | -1.9192 | |
| 334 | K | A | -2.7579 | |
| 335 | D | A | -2.9807 | |
| 336 | K | A | -3.2363 | |
| 337 | E | A | -3.1077 | |
| 338 | K | A | 0.0000 | |
| 339 | V | A | 0.0000 | |
| 340 | A | A | -1.4992 | |
| 341 | I | A | -1.3761 | |
| 342 | I | A | 0.0000 | |
| 343 | E | A | -1.2019 | |
| 344 | E | A | -1.7299 | |
| 345 | L | A | -0.9113 | |
| 346 | V | A | 0.0000 | |
| 347 | V | A | -0.2843 | |
| 348 | G | A | -0.5669 | |
| 349 | Y | A | 0.0000 | |
| 350 | E | A | 0.0000 | |
| 351 | T | A | -0.5882 | |
| 352 | S | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | K | A | -1.7616 | |
| 355 | S | A | -1.0998 | |
| 356 | C | A | -1.1510 | |
| 357 | R | A | -2.1334 | |
| 358 | L | A | -2.1965 | |
| 359 | F | A | 0.0000 | |
| 360 | N | A | -1.5317 | |
| 361 | P | A | -1.5820 | |
| 362 | N | A | -2.2631 | |
| 363 | D | A | -2.8046 | |
| 364 | D | A | -3.2607 | |
| 365 | G | A | -2.8964 | |
| 366 | K | A | -3.4525 | |
| 367 | E | A | -3.4177 | |
| 368 | E | A | -1.9659 | |
| 369 | P | A | -1.2167 | |
| 370 | P | A | -0.9152 | |
| 371 | T | A | -0.3744 | |
| 372 | T | A | 0.0000 | |
| 373 | L | A | -0.3500 | |
| 374 | L | A | 0.0000 | |
| 375 | W | A | 0.0000 | |
| 376 | V | A | 0.0000 | |
| 377 | Q | A | -0.2285 | |
| 378 | Y | A | 0.0000 | |
| 379 | Y | A | 0.0000 | |
| 380 | L | A | 0.0000 | |
| 381 | A | A | 0.0000 | |
| 382 | Q | A | 0.0000 | |
| 383 | H | A | 0.0000 | |
| 384 | Y | A | -0.2934 | |
| 385 | D | A | 0.0000 | |
| 386 | K | A | -1.5751 | |
| 387 | I | A | -0.4917 | |
| 388 | G | A | -0.8466 | |
| 389 | Q | A | -0.4634 | |
| 390 | P | A | -0.5126 | |
| 391 | S | A | -0.1096 | |
| 392 | I | A | 0.6480 | |
| 393 | A | A | 0.0000 | |
| 394 | L | A | 0.0000 | |
| 395 | E | A | -1.5433 | |
| 396 | Y | A | -0.6259 | |
| 397 | I | A | 0.0000 | |
| 398 | N | A | -1.6560 | |
| 399 | T | A | -1.3759 | |
| 400 | A | A | 0.0000 | |
| 401 | I | A | -1.1903 | |
| 402 | E | A | -2.0673 | |
| 403 | S | A | -1.2126 | |
| 404 | T | A | -0.6883 | |
| 405 | P | A | -0.7290 | |
| 406 | T | A | -0.2012 | |
| 407 | L | A | 0.2362 | |
| 408 | I | A | 0.0000 | |
| 409 | E | A | 0.0000 | |
| 410 | L | A | 0.0000 | |
| 411 | F | A | 0.0000 | |
| 412 | L | A | -0.2621 | |
| 413 | V | A | 0.0000 | |
| 414 | K | A | 0.0000 | |
| 415 | A | A | 0.0000 | |
| 416 | K | A | -1.0133 | |
| 417 | I | A | 0.0000 | |
| 418 | Y | A | -0.7701 | |
| 419 | K | A | -1.4000 | |
| 420 | H | A | -1.5158 | |
| 421 | A | A | 0.0000 | |
| 422 | G | A | -0.6620 | |
| 423 | N | A | -0.7104 | |
| 424 | I | A | -1.3095 | |
| 425 | K | A | -1.8967 | |
| 426 | E | A | -1.5122 | |
| 427 | A | A | 0.0000 | |
| 428 | A | A | 0.0000 | |
| 429 | R | A | -2.7453 | |
| 430 | W | A | -1.6733 | |
| 431 | M | A | 0.0000 | |
| 432 | D | A | -2.0606 | |
| 433 | E | A | -1.7653 | |
| 434 | A | A | 0.0000 | |
| 435 | Q | A | 0.0000 | |
| 436 | A | A | -0.3347 | |
| 437 | L | A | 0.1965 | |
| 438 | D | A | -0.3447 | |
| 439 | T | A | -0.3801 | |
| 440 | A | A | -0.4267 | |
| 441 | D | A | -0.3162 | |
| 442 | R | A | 0.0000 | |
| 443 | F | A | 0.0000 | |
| 444 | I | A | 0.0000 | |
| 445 | N | A | 0.0000 | |
| 446 | S | A | 0.0000 | |
| 447 | K | A | -0.8513 | |
| 448 | C | A | 0.0000 | |
| 449 | A | A | 0.0000 | |
| 450 | K | A | -1.0481 | |
| 451 | Y | A | 0.0000 | |
| 452 | M | A | -1.5850 | |
| 453 | L | A | 0.0000 | |
| 454 | K | A | -1.3959 | |
| 455 | A | A | 0.0000 | |
| 456 | N | A | -1.0390 | |
| 457 | L | A | -1.0084 | |
| 458 | I | A | -1.4878 | |
| 459 | K | A | -2.7763 | |
| 460 | E | A | -3.0033 | |
| 461 | A | A | 0.0000 | |
| 462 | E | A | -2.2809 | |
| 463 | E | A | -3.2162 | |
| 464 | M | A | 0.0000 | |
| 465 | C | A | 0.0000 | |
| 466 | S | A | -2.3503 | |
| 467 | K | A | -2.5936 | |
| 468 | F | A | -1.6837 | |
| 469 | T | A | -2.4295 | |
| 470 | R | A | -3.7159 | |
| 471 | E | A | -3.4673 | |
| 472 | G | A | -1.9582 | |
| 473 | T | A | -1.6251 | |
| 474 | S | A | -1.5499 | |
| 475 | A | A | 0.0000 | |
| 476 | V | A | -1.0631 | |
| 477 | E | A | -2.1909 | |
| 478 | N | A | 0.0000 | |
| 479 | L | A | 0.0000 | |
| 480 | N | A | -1.3856 | |
| 481 | E | A | -1.8528 | |
| 482 | M | A | -1.0114 | |
| 483 | Q | A | 0.0000 | |
| 484 | C | A | 0.0000 | |
| 485 | M | A | 0.0000 | |
| 486 | W | A | 0.0000 | |
| 487 | F | A | 0.0000 | |
| 488 | Q | A | 0.0000 | |
| 489 | T | A | 0.0000 | |
| 490 | E | A | 0.0000 | |
| 491 | C | A | 0.0000 | |
| 492 | A | A | 0.0000 | |
| 493 | Q | A | -1.3199 | |
| 494 | A | A | 0.0000 | |
| 495 | Y | A | -0.9389 | |
| 496 | K | A | -1.3078 | |
| 497 | A | A | -0.8214 | |
| 498 | M | A | -0.7207 | |
| 499 | N | A | -1.7280 | |
| 500 | K | A | -1.8802 | |
| 501 | F | A | 0.0000 | |
| 502 | G | A | -1.7431 | |
| 503 | E | A | -1.3072 | |
| 504 | A | A | 0.0000 | |
| 505 | L | A | 0.0000 | |
| 506 | K | A | -1.0294 | |
| 507 | K | A | 0.0000 | |
| 508 | C | A | 0.0000 | |
| 509 | H | A | -0.6599 | |
| 510 | E | A | -0.6465 | |
| 511 | I | A | 0.0000 | |
| 512 | E | A | 0.0000 | |
| 513 | R | A | -0.9534 | |
| 514 | H | A | 0.0000 | |
| 515 | F | A | 0.0000 | |
| 516 | I | A | 0.4244 | |
| 517 | E | A | -0.7946 | |
| 518 | I | A | 0.0000 | |
| 519 | T | A | -0.2322 | |
| 520 | D | A | -0.7535 | |
| 521 | D | A | 0.0000 | |
| 522 | Q | A | 0.0000 | |
| 523 | F | A | -0.6420 | |
| 524 | D | A | -1.7382 | |
| 525 | F | A | 0.0000 | |
| 526 | H | A | 0.0000 | |
| 527 | T | A | -0.9766 | |
| 528 | Y | A | -0.9144 | |
| 529 | C | A | 0.0000 | |
| 530 | M | A | -1.1027 | |
| 531 | R | A | -2.2617 | |
| 532 | K | A | -1.4724 | |
| 533 | I | A | 0.0000 | |
| 534 | T | A | 0.0000 | |
| 535 | L | A | 0.0000 | |
| 536 | R | A | -0.5296 | |
| 537 | S | A | 0.0000 | |
| 538 | Y | A | 0.0000 | |
| 539 | V | A | 0.0000 | |
| 540 | D | A | -2.0034 | |
| 541 | L | A | 0.0000 | |
| 542 | L | A | 0.0000 | |
| 543 | K | A | -2.2370 | |
| 544 | L | A | 0.0000 | |
| 545 | E | A | 0.0000 | |
| 546 | D | A | -1.3613 | |
| 547 | V | A | -0.9537 | |
| 548 | L | A | 0.0000 | |
| 549 | R | A | -0.8186 | |
| 550 | Q | A | -1.7199 | |
| 551 | H | A | -1.1078 | |
| 552 | P | A | -0.7978 | |
| 553 | F | A | -0.5996 | |
| 554 | Y | A | 0.0000 | |
| 555 | F | A | 0.0000 | |
| 556 | K | A | -1.3222 | |
| 557 | A | A | 0.0000 | |
| 558 | A | A | 0.0000 | |
| 559 | R | A | -2.0096 | |
| 560 | I | A | 0.0000 | |
| 561 | A | A | 0.0000 | |
| 562 | I | A | 0.0000 | |
| 563 | E | A | -1.7428 | |
| 564 | I | A | 0.0000 | |
| 565 | Y | A | 0.0000 | |
| 566 | L | A | 0.0000 | |
| 567 | K | A | -2.9009 | |
| 568 | L | A | -2.3773 | |
| 569 | H | A | -2.4237 | |
| 570 | D | A | -3.0829 | |
| 571 | N | A | -2.6887 | |
| 572 | P | A | -2.0561 | |
| 640 | E | A | -2.5494 | |
| 641 | E | A | -2.5257 | |
| 642 | L | A | -1.3052 | |
| 643 | I | A | -0.8325 | |
| 644 | P | A | -1.6915 | |
| 645 | E | A | -2.7616 | |
| 646 | K | A | -2.8541 | |
| 647 | L | A | -1.7254 | |
| 648 | A | A | -2.0323 | |
| 649 | K | A | -2.9512 | |
| 650 | V | A | -2.1675 | |
| 651 | E | A | -2.5060 | |
| 652 | T | A | -1.5632 | |
| 653 | P | A | -1.6291 | |
| 654 | L | A | 0.0000 | |
| 655 | E | A | -1.7676 | |
| 656 | E | A | -1.6277 | |
| 657 | A | A | 0.0000 | |
| 658 | I | A | -0.9156 | |
| 659 | K | A | -1.7097 | |
| 660 | F | A | 0.0000 | |
| 661 | L | A | 0.0000 | |
| 662 | T | A | -0.9381 | |
| 663 | P | A | -1.2183 | |
| 664 | L | A | 0.0000 | |
| 665 | K | A | -1.9876 | |
| 666 | N | A | -2.1653 | |
| 667 | L | A | -1.6892 | |
| 668 | V | A | 0.0000 | |
| 669 | K | A | -3.2167 | |
| 670 | N | A | -2.7225 | |
| 671 | K | A | -2.0162 | |
| 672 | I | A | -0.9887 | |
| 673 | E | A | -1.1321 | |
| 674 | T | A | 0.0000 | |
| 675 | H | A | 0.0000 | |
| 676 | L | A | 0.0000 | |
| 677 | F | A | 0.0000 | |
| 678 | A | A | 0.0000 | |
| 679 | F | A | 0.0000 | |
| 680 | E | A | 0.0000 | |
| 681 | I | A | 0.0000 | |
| 682 | Y | A | 0.0000 | |
| 683 | F | A | -0.6672 | |
| 684 | R | A | -1.4026 | |
| 685 | K | A | -1.8290 | |
| 686 | E | A | -2.4566 | |
| 687 | K | A | -1.8322 | |
| 688 | F | A | -0.7449 | |
| 689 | L | A | 0.5006 | |
| 690 | L | A | 0.0543 | |
| 691 | M | A | 0.0000 | |
| 692 | L | A | 0.0000 | |
| 693 | Q | A | -0.7023 | |
| 694 | S | A | 0.0000 | |
| 695 | V | A | 0.0000 | |
| 696 | K | A | -1.1187 | |
| 697 | R | A | -1.9191 | |
| 698 | A | A | 0.0000 | |
| 699 | F | A | 0.0017 | |
| 700 | A | A | -0.0059 | |
| 701 | I | A | -0.0065 | |
| 702 | D | A | -0.4322 | |
| 703 | S | A | -0.3268 | |
| 704 | S | A | -0.5178 | |
| 705 | H | A | -0.2436 | |
| 706 | P | A | -0.3105 | |
| 707 | W | A | 0.0292 | |
| 708 | L | A | 0.0000 | |
| 709 | H | A | 0.0000 | |
| 710 | E | A | -0.1625 | |
| 711 | C | A | 0.0000 | |
| 712 | M | A | 0.0000 | |
| 713 | I | A | 0.0000 | |
| 714 | R | A | -0.1139 | |
| 715 | L | A | 0.0000 | |
| 716 | F | A | 0.0000 | |
| 717 | N | A | 0.1682 | |
| 718 | T | A | -0.2442 | |
| 719 | A | A | -0.4826 | |
| 720 | V | A | 0.8129 | |
| 721 | C | A | 0.3712 | |
| 722 | E | A | -1.8461 | |
| 723 | S | A | -2.3704 | |
| 724 | K | A | -3.2137 | |
| 725 | D | A | -2.9971 | |
| 726 | L | A | -1.4385 | |
| 727 | S | A | -1.5508 | |
| 728 | D | A | -2.6554 | |
| 729 | T | A | -1.3741 | |
| 730 | V | A | -1.2226 | |
| 731 | R | A | -2.8233 | |
| 732 | T | A | -1.8926 | |
| 733 | V | A | -1.0969 | |
| 734 | L | A | 0.0000 | |
| 735 | K | A | -2.8006 | |
| 736 | Q | A | -3.0337 | |
| 737 | E | A | -2.4272 | |
| 738 | M | A | 0.0000 | |
| 739 | N | A | -2.8136 | |
| 740 | R | A | -2.9366 | |
| 741 | L | A | -1.3769 | |
| 745 | T | A | -1.7522 | |
| 746 | N | A | -1.7990 | |
| 747 | P | A | -1.4359 | |
| 748 | K | A | -2.2991 | |
| 749 | N | A | -2.4676 | |
| 750 | F | A | -1.3951 | |
| 751 | N | A | 0.0000 | |
| 752 | E | A | -2.0760 | |
| 753 | T | A | -1.9261 | |
| 754 | F | A | 0.0000 | |
| 755 | L | A | 0.0000 | |
| 756 | K | A | -3.1915 | |
| 757 | R | A | -3.1595 | |
| 758 | N | A | -2.3661 | |
| 759 | S | A | -2.2251 | |
| 760 | D | A | -2.9717 | |
| 761 | S | A | 0.0000 | |
| 762 | L | A | 0.0000 | |
| 763 | P | A | -1.0572 | |
| 764 | H | A | -0.9393 | |
| 765 | R | A | -0.9836 | |
| 766 | L | A | 0.0000 | |
| 767 | S | A | 0.0000 | |
| 768 | A | A | 0.0000 | |
| 769 | A | A | 0.0000 | |
| 770 | K | A | -0.0768 | |
| 771 | M | A | 0.0000 | |
| 772 | V | A | 0.0000 | |
| 773 | Y | A | -0.0062 | |
| 774 | Y | A | 0.6095 | |
| 775 | L | A | 0.1683 | |
| 776 | D | A | -0.2028 | |
| 777 | P | A | -0.5373 | |
| 778 | S | A | -0.8644 | |
| 779 | S | A | -1.1433 | |
| 780 | Q | A | -1.8024 | |
| 781 | K | A | -2.6716 | |
| 782 | R | A | -2.2576 | |
| 783 | A | A | 0.0000 | |
| 784 | I | A | 0.0000 | |
| 785 | E | A | -2.4270 | |
| 786 | L | A | -1.2410 | |
| 787 | A | A | 0.0000 | |
| 788 | T | A | -0.5948 | |
| 789 | T | A | -1.3124 | |
| 790 | L | A | -1.4204 | |
| 791 | D | A | -2.8667 | |
| 792 | E | A | -3.0858 | |
| 793 | S | A | -2.2222 | |
| 794 | L | A | 0.0000 | |
| 795 | T | A | -1.6443 | |
| 796 | N | A | -1.6570 | |
| 797 | R | A | -1.7530 | |
| 798 | N | A | -1.0481 | |
| 799 | L | A | -0.9345 | |
| 800 | Q | A | -1.7737 | |
| 801 | T | A | 0.0000 | |
| 802 | C | A | 0.0000 | |
| 803 | M | A | -1.4881 | |
| 804 | E | A | -2.7874 | |
| 805 | V | A | 0.0000 | |
| 806 | L | A | 0.0000 | |
| 807 | E | A | -2.6918 | |
| 808 | A | A | 0.0000 | |
| 809 | L | A | 0.0000 | |
| 810 | Y | A | -1.5013 | |
| 811 | D | A | -2.6426 | |
| 812 | G | A | -2.0145 | |
| 813 | S | A | -1.1125 | |
| 814 | L | A | 0.0000 | |
| 815 | G | A | -1.6703 | |
| 816 | D | A | -2.8607 | |
| 817 | C | A | 0.0000 | |
| 818 | K | A | -3.1359 | |
| 819 | E | A | -2.9780 | |
| 820 | A | A | -1.8881 | |
| 821 | A | A | 0.0000 | |
| 822 | E | A | -1.9539 | |
| 823 | I | A | 0.1976 | |
| 824 | Y | A | 0.0000 | |
| 825 | R | A | -1.0040 | |
| 826 | A | A | -0.7268 | |
| 827 | N | A | -0.7814 | |
| 828 | C | A | 0.0000 | |
| 829 | H | A | -0.8200 | |
| 830 | K | A | -1.7319 | |
| 831 | L | A | -0.4852 | |
| 832 | F | A | -0.2213 | |
| 833 | P | A | -0.3709 | |
| 834 | Y | A | -0.0217 | |
| 835 | A | A | 0.0000 | |
| 836 | L | A | 0.3330 | |
| 837 | A | A | -0.0434 | |
| 838 | F | A | 0.0000 | |
| 839 | M | A | -0.2555 | |
| 840 | P | A | -0.5013 | |
| 841 | P | A | -0.2931 | |
| 1 | M | B | -0.0684 | |
| 2 | N | B | -0.1979 | |
| 3 | I | B | 0.0000 | |
| 4 | R | B | -0.5296 | |
| 5 | N | B | -0.5544 | |
| 6 | A | B | 0.0000 | |
| 7 | R | B | -1.8803 | |
| 8 | P | B | 0.0000 | |
| 9 | E | B | -2.5121 | |
| 10 | D | B | 0.0000 | |
| 11 | L | B | 0.0000 | |
| 12 | M | B | 0.0000 | |
| 13 | N | B | -1.1403 | |
| 14 | M | B | 0.0000 | |
| 15 | Q | B | 0.0000 | |
| 16 | H | B | -0.3718 | |
| 17 | C | B | 0.0000 | |
| 18 | N | B | 0.0000 | |
| 19 | L | B | 0.0000 | |
| 20 | L | B | 0.0289 | |
| 21 | C | B | 0.0513 | |
| 22 | L | B | 0.0565 | |
| 23 | P | B | -0.9040 | |
| 24 | E | B | -1.1376 | |
| 25 | N | B | -0.9867 | |
| 26 | Y | B | -0.8096 | |
| 27 | Q | B | -1.3616 | |
| 28 | M | B | 0.0000 | |
| 29 | K | B | -1.4887 | |
| 30 | Y | B | -0.2728 | |
| 31 | Y | B | 0.0000 | |
| 32 | F | B | 0.0000 | |
| 33 | Y | B | -0.0579 | |
| 34 | H | B | 0.0000 | |
| 35 | G | B | -0.5750 | |
| 36 | L | B | 0.0000 | |
| 37 | P | B | 0.0000 | mutated: SP37B |
| 38 | W | B | 0.0000 | |
| 39 | P | B | -0.3229 | |
| 40 | Q | B | 0.0000 | |
| 41 | L | B | 0.0000 | |
| 42 | S | B | 0.0000 | |
| 43 | Y | B | 0.0000 | |
| 44 | I | B | 0.0000 | |
| 45 | A | B | 0.0000 | |
| 46 | E | B | -1.2406 | |
| 47 | D | B | 0.0000 | |
| 48 | E | B | -1.5555 | |
| 49 | N | B | -2.1727 | |
| 50 | G | B | -1.9235 | |
| 51 | K | B | -2.4355 | |
| 52 | I | B | 0.0000 | |
| 53 | V | B | 0.0000 | |
| 54 | G | B | 0.0000 | |
| 55 | Y | B | 0.0000 | |
| 56 | V | B | 0.0000 | |
| 57 | L | B | 0.0000 | |
| 58 | A | B | 0.0000 | |
| 59 | K | B | -0.6221 | |
| 60 | M | B | 0.0000 | |
| 61 | E | B | -2.0993 | |
| 62 | E | B | -3.1054 | |
| 63 | D | B | -3.0278 | |
| 64 | P | B | -2.0296 | |
| 65 | D | B | -1.7796 | |
| 66 | D | B | -1.1590 | |
| 67 | V | B | -0.3805 | |
| 68 | P | B | -1.0890 | |
| 69 | H | B | 0.0000 | |
| 70 | G | B | 0.0000 | |
| 71 | H | B | -0.6392 | |
| 72 | I | B | 0.0000 | |
| 73 | T | B | -0.2043 | |
| 74 | S | B | 0.0000 | |
| 75 | L | B | 0.0000 | |
| 76 | A | B | 0.0000 | |
| 77 | V | B | -0.1247 | |
| 78 | K | B | -0.2743 | |
| 79 | R | B | -0.8280 | |
| 80 | S | B | -0.6372 | |
| 81 | H | B | 0.0000 | |
| 82 | R | B | -1.6825 | |
| 83 | R | B | -2.3945 | |
| 84 | L | B | 0.0000 | |
| 85 | G | B | -1.4498 | |
| 86 | L | B | 0.0000 | |
| 87 | A | B | 0.0000 | |
| 88 | Q | B | -1.1192 | |
| 89 | K | B | -0.8029 | |
| 90 | L | B | 0.0000 | |
| 91 | M | B | 0.0000 | |
| 92 | D | B | -0.6408 | |
| 93 | Q | B | 0.0000 | |
| 94 | A | B | 0.0000 | |
| 95 | S | B | 0.0000 | |
| 96 | R | B | -0.4533 | |
| 97 | A | B | 0.0000 | |
| 98 | M | B | 0.0000 | |
| 99 | I | B | 0.0000 | |
| 100 | E | B | -0.6407 | |
| 101 | N | B | 0.0000 | |
| 102 | F | B | -0.7333 | |
| 103 | N | B | -1.4072 | |
| 104 | A | B | 0.0000 | |
| 105 | K | B | -1.5479 | |
| 106 | Y | B | -0.9735 | |
| 107 | V | B | 0.0000 | |
| 108 | S | B | -0.5874 | |
| 109 | L | B | 0.0000 | |
| 110 | H | B | -0.2069 | |
| 111 | V | B | 0.0000 | |
| 112 | R | B | -1.4334 | |
| 113 | K | B | -1.5235 | |
| 114 | S | B | -1.5096 | |
| 115 | N | B | -1.9121 | |
| 116 | R | B | -2.4302 | |
| 117 | A | B | -1.1581 | |
| 118 | A | B | -1.0128 | |
| 119 | L | B | -1.2776 | |
| 120 | H | B | -1.7399 | |
| 121 | L | B | -0.8044 | |
| 122 | Y | B | -0.8644 | |
| 123 | S | B | -1.4827 | |
| 124 | N | B | -1.9498 | |
| 125 | T | B | -1.2436 | |
| 126 | L | B | 0.0000 | |
| 127 | N | B | -2.2980 | |
| 128 | F | B | 0.0000 | |
| 129 | Q | B | -1.5229 | |
| 130 | I | B | 0.1936 | |
| 131 | S | B | -0.1791 | |
| 132 | E | B | -0.3373 | |
| 133 | V | B | -0.0406 | |
| 134 | E | B | -0.8176 | |
| 135 | P | B | -1.2125 | |
| 136 | K | B | -2.1814 | |
| 137 | Y | B | -0.7275 | |
| 138 | Y | B | -1.1728 | |
| 139 | A | B | -1.5741 | |
| 140 | D | B | -2.7639 | |
| 141 | G | B | -1.9790 | |
| 142 | E | B | -1.9969 | |
| 143 | D | B | -1.7174 | |
| 144 | A | B | 0.0000 | |
| 145 | Y | B | -0.0800 | |
| 146 | A | B | 0.0000 | |
| 147 | M | B | 0.0000 | |
| 148 | K | B | -1.2075 | |
| 149 | R | B | -1.4950 | |
| 150 | D | B | -1.8410 | |
| 151 | L | B | 0.0000 | |
| 152 | T | B | -1.9088 | |
| 153 | Q | B | -2.4565 | |
| 154 | M | B | -2.0684 | |
| 155 | A | B | -2.7896 | |
| 156 | D | B | -3.9317 | |
| 157 | E | B | -3.8067 | |
| 158 | L | B | -2.5798 | |
| 159 | R | B | -3.5761 | |
| 160 | R | B | -3.5624 | |
| 3 | A | C | 0.1020 | |
| 4 | V | C | 1.3859 | |
| 5 | S | C | 0.5710 | |
| 6 | L | C | -0.2697 | |
| 7 | P | C | -0.8263 | |
| 8 | P | C | -1.3323 | |
| 9 | K | C | -2.1616 | |
| 10 | E | C | -1.6821 | |
| 11 | N | C | -1.6521 | |
| 12 | A | C | -1.5517 | |
| 13 | L | C | -1.2662 | |
| 14 | F | C | 0.0000 | |
| 15 | K | C | -2.0311 | |
| 16 | R | C | -2.6053 | |
| 17 | I | C | 0.0000 | |
| 18 | L | C | -1.8433 | |
| 19 | R | C | -3.5174 | |
| 20 | C | C | -3.1600 | |
| 21 | Y | C | -2.8259 | |
| 22 | E | C | -3.5234 | |
| 23 | H | C | -3.2926 | |
| 24 | K | C | -3.5680 | |
| 25 | Q | C | -3.4649 | |
| 26 | Y | C | -2.6264 | |
| 27 | R | C | -3.0016 | |
| 28 | N | C | -3.0235 | |
| 29 | G | C | 0.0000 | |
| 30 | L | C | -2.0495 | |
| 31 | K | C | -2.8385 | |
| 32 | F | C | -1.7751 | |
| 33 | C | C | 0.0000 | |
| 34 | K | C | -2.1724 | |
| 35 | Q | C | -1.5578 | |
| 36 | I | C | 0.0000 | |
| 37 | L | C | -1.4373 | |
| 38 | S | C | -1.4507 | |
| 39 | N | C | -1.4853 | |
| 40 | P | C | -1.4318 | |
| 41 | K | C | -2.0428 | |
| 42 | F | C | -1.0980 | |
| 43 | A | C | -1.5071 | |
| 44 | E | C | -2.0949 | |
| 45 | H | C | 0.0000 | |
| 46 | G | C | 0.0000 | |
| 47 | E | C | -0.4165 | |
| 48 | T | C | 0.0000 | |
| 49 | L | C | 0.0000 | |
| 50 | A | C | 0.0000 | |
| 51 | M | C | 0.0000 | |
| 52 | K | C | -0.7115 | |
| 53 | G | C | 0.0000 | |
| 54 | L | C | 0.0000 | |
| 55 | T | C | 0.0000 | |
| 56 | L | C | -0.9035 | |
| 57 | N | C | -1.2505 | |
| 58 | C | C | -0.1114 | |
| 59 | L | C | -0.3322 | |
| 60 | G | C | -1.4523 | |
| 61 | K | C | -3.0736 | |
| 62 | K | C | -3.3727 | |
| 63 | E | C | -3.8107 | |
| 64 | E | C | -3.2721 | |
| 65 | A | C | 0.0000 | |
| 66 | Y | C | -2.8308 | |
| 67 | E | C | -3.9130 | |
| 68 | L | C | -2.8517 | |
| 69 | V | C | 0.0000 | |
| 70 | R | C | -3.7616 | |
| 71 | R | C | -4.0068 | |
| 72 | G | C | 0.0000 | |
| 73 | L | C | 0.0000 | |
| 74 | R | C | -3.3550 | |
| 75 | N | C | -1.7304 | |
| 76 | D | C | -0.5817 | |
| 77 | L | C | 0.0889 | |
| 78 | K | C | -1.1498 | |
| 79 | S | C | 0.0000 | |
| 80 | H | C | -0.7658 | |
| 81 | V | C | -0.0334 | |
| 82 | C | C | 0.0000 | |
| 83 | W | C | -0.4186 | |
| 84 | H | C | -0.0421 | |
| 85 | V | C | 0.0000 | |
| 86 | Y | C | -0.2989 | |
| 87 | G | C | 0.0000 | |
| 88 | L | C | -0.2206 | |
| 89 | L | C | 0.0000 | |
| 90 | Q | C | 0.0000 | |
| 91 | R | C | -1.7537 | |
| 92 | S | C | -1.1590 | |
| 93 | D | C | -1.8134 | |
| 94 | K | C | -2.8525 | |
| 95 | K | C | -2.6049 | |
| 96 | Y | C | -2.0699 | |
| 97 | D | C | -2.5208 | |
| 98 | E | C | -2.1573 | |
| 99 | A | C | 0.0000 | |
| 100 | I | C | -1.1389 | |
| 101 | K | C | -1.3809 | |
| 102 | C | C | 0.0000 | |
| 103 | Y | C | 0.0000 | |
| 104 | R | C | -0.9709 | |
| 105 | N | C | 0.0000 | |
| 106 | A | C | 0.0000 | |
| 107 | L | C | -1.5151 | |
| 108 | K | C | -1.5960 | |
| 109 | W | C | -1.2961 | |
| 110 | D | C | -2.1800 | |
| 111 | K | C | -2.6581 | |
| 112 | D | C | -2.6551 | |
| 113 | N | C | -1.7327 | |
| 114 | L | C | -1.0421 | |
| 115 | Q | C | -1.0050 | |
| 116 | I | C | 0.0000 | |
| 117 | L | C | 0.0000 | |
| 118 | R | C | -1.1074 | |
| 119 | D | C | 0.0000 | |
| 120 | L | C | 0.0000 | |
| 121 | S | C | 0.0000 | |
| 122 | L | C | 0.0000 | |
| 123 | L | C | 0.0000 | |
| 124 | Q | C | 0.0000 | |
| 125 | I | C | 0.0000 | |
| 126 | Q | C | 0.0000 | |
| 127 | M | C | -0.2211 | |
| 128 | R | C | -1.0464 | |
| 129 | D | C | -1.6119 | |
| 130 | L | C | -1.3649 | |
| 131 | E | C | -2.5709 | |
| 132 | G | C | -1.8549 | |
| 133 | Y | C | 0.0000 | |
| 134 | R | C | -1.5622 | |
| 135 | E | C | -2.0962 | |
| 136 | T | C | 0.0000 | |
| 137 | R | C | 0.0000 | |
| 138 | Y | C | -0.0158 | |
| 139 | Q | C | -1.1686 | |
| 140 | L | C | 0.0000 | |
| 141 | L | C | -1.0822 | |
| 142 | Q | C | -1.3762 | |
| 143 | L | C | -1.3759 | |
| 144 | R | C | -2.3417 | |
| 145 | P | C | -1.5820 | |
| 146 | A | C | -1.3049 | |
| 147 | Q | C | -1.7174 | |
| 148 | R | C | -1.4202 | |
| 149 | A | C | -1.1813 | |
| 150 | S | C | 0.0000 | |
| 151 | W | C | -0.5562 | |
| 152 | I | C | 0.0000 | |
| 153 | G | C | 0.0000 | |
| 154 | Y | C | 0.1324 | |
| 155 | A | C | 0.0000 | |
| 156 | I | C | 0.0000 | |
| 157 | A | C | 0.0000 | |
| 158 | Y | C | -0.2232 | |
| 159 | H | C | 0.0000 | |
| 160 | L | C | -0.2484 | |
| 161 | L | C | -0.2837 | |
| 162 | E | C | -1.0565 | |
| 163 | D | C | -1.0432 | |
| 164 | Y | C | -0.7698 | |
| 165 | E | C | -1.3187 | |
| 166 | M | C | -0.7264 | |
| 167 | A | C | 0.0000 | |
| 168 | A | C | -1.1760 | |
| 169 | K | C | -2.2384 | |
| 170 | I | C | 0.0000 | |
| 171 | L | C | 0.0000 | |
| 172 | E | C | -2.1978 | |
| 173 | E | C | -2.7609 | |
| 174 | F | C | 0.0000 | |
| 175 | R | C | 0.0000 | |
| 176 | K | C | -2.4938 | |
| 177 | T | C | -1.5103 | |
| 178 | Q | C | 0.0000 | |
| 179 | Q | C | -1.5317 | |
| 180 | T | C | -1.0258 | |
| 181 | S | C | -1.0706 | |
| 182 | P | C | -1.1417 | |
| 183 | D | C | -2.0173 | |
| 184 | K | C | -1.2039 | |
| 185 | V | C | 0.1799 | |
| 186 | D | C | -1.2482 | |
| 187 | Y | C | -0.3608 | |
| 188 | E | C | 0.0000 | |
| 189 | Y | C | 0.0000 | |
| 190 | S | C | 0.0000 | |
| 191 | E | C | 0.0000 | |
| 192 | L | C | 0.0000 | |
| 193 | L | C | 0.0000 | |
| 194 | L | C | 0.0000 | |
| 195 | Y | C | 0.0000 | |
| 196 | Q | C | 0.0000 | |
| 197 | N | C | 0.0000 | |
| 198 | Q | C | -0.4264 | |
| 199 | V | C | 0.0000 | |
| 200 | L | C | -0.6816 | |
| 201 | R | C | -1.1622 | |
| 202 | E | C | -0.7757 | |
| 203 | A | C | 0.0000 | |
| 204 | G | C | 0.0000 | |
| 205 | L | C | 0.0000 | |
| 206 | Y | C | -1.5862 | |
| 207 | R | C | -2.6535 | |
| 208 | E | C | -2.4427 | |
| 209 | A | C | 0.0000 | |
| 210 | L | C | 0.0000 | |
| 211 | E | C | -2.1787 | |
| 212 | H | C | -1.2385 | |
| 213 | L | C | 0.0000 | |
| 214 | C | C | -0.6473 | |
| 215 | T | C | -0.7008 | |
| 216 | Y | C | -0.9488 | |
| 217 | E | C | -1.8482 | |
| 218 | K | C | -2.1794 | |
| 219 | Q | C | -1.8083 | |
| 220 | I | C | 0.0000 | |
| 221 | C | C | -1.0349 | |
| 222 | D | C | 0.0000 | |
| 223 | K | C | -1.1454 | |
| 224 | L | C | -0.6276 | |
| 225 | A | C | -0.5789 | |
| 226 | V | C | 0.0000 | |
| 227 | E | C | -1.6304 | |
| 228 | E | C | -1.6513 | |
| 229 | T | C | 0.0000 | |
| 230 | K | C | -1.7716 | |
| 231 | G | C | 0.0000 | |
| 232 | E | C | -2.2167 | |
| 233 | L | C | 0.0000 | |
| 234 | L | C | 0.0000 | |
| 235 | L | C | -1.5194 | |
| 236 | Q | C | -1.2008 | |
| 237 | L | C | -0.5655 | |
| 238 | C | C | -0.7579 | |
| 239 | R | C | -2.2825 | |
| 240 | L | C | -2.3189 | |
| 241 | E | C | -3.2778 | |
| 242 | D | C | -3.6837 | |
| 243 | A | C | 0.0000 | |
| 244 | A | C | 0.0000 | |
| 245 | D | C | -3.4387 | |
| 246 | V | C | 0.0000 | |
| 247 | Y | C | 0.0000 | |
| 248 | R | C | -2.9701 | |
| 249 | G | C | -2.3882 | |
| 250 | L | C | 0.0000 | |
| 251 | Q | C | -1.8482 | |
| 252 | E | C | -2.6323 | |
| 253 | R | C | 0.0000 | |
| 254 | N | C | 0.0000 | |
| 255 | P | C | -1.1862 | |
| 256 | E | C | 0.0000 | |
| 257 | N | C | 0.0000 | |
| 258 | W | C | -0.0908 | |
| 259 | A | C | -0.4278 | |
| 260 | Y | C | 0.0000 | |
| 261 | Y | C | 0.0000 | |
| 262 | K | C | -1.5033 | |
| 263 | G | C | 0.0000 | |
| 264 | L | C | 0.0000 | |
| 265 | E | C | -1.8191 | |
| 266 | K | C | -1.9076 | |
| 267 | A | C | 0.0000 | |
| 268 | L | C | -1.0826 | |
| 269 | K | C | -2.2115 | |
| 270 | P | C | -1.6817 | |
| 271 | A | C | -0.9926 | |
| 272 | N | C | -1.2428 | |
| 273 | M | C | -0.3151 | |
| 274 | L | C | -0.0573 | |
| 275 | E | C | -1.7417 | |
| 276 | R | C | -1.6323 | |
| 277 | L | C | 0.0000 | |
| 278 | K | C | -2.6451 | |
| 279 | I | C | 0.0000 | |
| 280 | Y | C | 0.0000 | |
| 281 | E | C | -2.6284 | |
| 282 | E | C | -3.1132 | |
| 283 | A | C | 0.0000 | |
| 284 | W | C | 0.0000 | |
| 285 | T | C | -1.9143 | |
| 286 | K | C | -2.7562 | |
| 287 | Y | C | -1.9130 | |
| 288 | P | C | -1.7629 | |
| 289 | R | C | -2.1601 | |
| 290 | G | C | -1.2661 | |
| 291 | L | C | 0.0000 | |
| 292 | V | C | 0.0000 | |
| 293 | P | C | 0.0000 | |
| 294 | R | C | -0.9985 | |
| 295 | R | C | -0.4019 | |
| 296 | L | C | -0.1480 | |
| 297 | P | C | 0.0000 | |
| 298 | L | C | 0.0000 | |
| 299 | N | C | -0.6520 | |
| 300 | F | C | -0.0317 | |
| 301 | L | C | 0.0000 | |
| 302 | S | C | -1.5946 | |
| 303 | G | C | -2.1938 | |
| 304 | E | C | -3.0724 | |
| 305 | K | C | -2.3261 | |
| 306 | F | C | 0.0000 | |
| 307 | K | C | -2.8529 | |
| 308 | E | C | -3.4840 | |
| 309 | C | C | 0.0000 | |
| 310 | L | C | 0.0000 | |
| 311 | D | C | -2.0269 | |
| 312 | K | C | -2.5043 | |
| 313 | F | C | 0.0000 | |
| 314 | L | C | 0.0000 | |
| 315 | R | C | -1.0639 | |
| 316 | M | C | -0.6673 | |
| 317 | N | C | 0.0000 | |
| 318 | F | C | 0.0000 | |
| 319 | S | C | -0.6728 | |
| 320 | K | C | -1.2706 | |
| 321 | G | C | 0.0000 | |
| 322 | C | C | 0.0000 | |
| 323 | P | C | 0.0000 | |
| 324 | P | C | 0.0000 | |
| 325 | V | C | 0.0000 | |
| 326 | F | C | 0.0000 | |
| 327 | N | C | -0.5723 | |
| 328 | T | C | 0.0000 | |
| 329 | L | C | 0.0000 | |
| 330 | R | C | -1.1264 | |
| 331 | S | C | -1.2473 | |
| 332 | L | C | 0.0000 | |
| 333 | Y | C | -1.8788 | |
| 334 | K | C | -2.6574 | |
| 335 | D | C | -2.8146 | |
| 336 | K | C | -3.2351 | |
| 337 | E | C | -3.0726 | |
| 338 | K | C | -2.2799 | |
| 339 | V | C | 0.0000 | |
| 340 | A | C | -1.6731 | |
| 341 | I | C | -1.6137 | |
| 342 | I | C | 0.0000 | |
| 343 | E | C | -1.5423 | |
| 344 | E | C | -1.9798 | |
| 345 | L | C | -1.0801 | |
| 346 | V | C | 0.0000 | |
| 347 | V | C | -0.5530 | |
| 348 | G | C | -0.8608 | |
| 349 | Y | C | 0.0000 | |
| 350 | E | C | 0.0000 | |
| 351 | T | C | -0.6321 | |
| 352 | S | C | 0.0000 | |
| 353 | L | C | 0.0000 | |
| 354 | K | C | -1.9933 | |
| 355 | S | C | -1.2476 | |
| 356 | C | C | -1.4002 | |
| 357 | R | C | -2.4592 | |
| 358 | L | C | -2.3270 | |
| 359 | F | C | 0.0000 | |
| 360 | N | C | -1.4217 | |
| 361 | P | C | -1.6013 | |
| 362 | N | C | -2.2661 | |
| 363 | D | C | -2.8213 | |
| 364 | D | C | -3.2647 | |
| 365 | G | C | -2.8864 | |
| 366 | K | C | -3.4480 | |
| 367 | E | C | -3.4464 | |
| 368 | E | C | -2.0022 | |
| 369 | P | C | -1.2035 | |
| 370 | P | C | -0.9521 | |
| 371 | T | C | -0.3093 | |
| 372 | T | C | 0.0000 | |
| 373 | L | C | -0.3413 | |
| 374 | L | C | 0.1372 | |
| 375 | W | C | 0.0000 | |
| 376 | V | C | 0.0000 | |
| 377 | Q | C | -0.1882 | |
| 378 | Y | C | 0.0000 | |
| 379 | Y | C | 0.0000 | |
| 380 | L | C | 0.0000 | |
| 381 | A | C | 0.0000 | |
| 382 | Q | C | -0.6537 | |
| 383 | H | C | 0.0000 | |
| 384 | Y | C | -0.4179 | |
| 385 | D | C | -1.1201 | |
| 386 | K | C | -1.5450 | |
| 387 | I | C | -0.3455 | |
| 388 | G | C | -0.9691 | |
| 389 | Q | C | -0.6267 | |
| 390 | P | C | -0.7174 | |
| 391 | S | C | -0.3828 | |
| 392 | I | C | 0.1915 | |
| 393 | A | C | 0.0000 | |
| 394 | L | C | 0.0000 | |
| 395 | E | C | -1.6140 | |
| 396 | Y | C | -0.8365 | |
| 397 | I | C | 0.0000 | |
| 398 | N | C | -1.5173 | |
| 399 | T | C | -1.3661 | |
| 400 | A | C | 0.0000 | |
| 401 | I | C | -1.1052 | |
| 402 | E | C | -2.0043 | |
| 403 | S | C | -1.1670 | |
| 404 | T | C | -0.6996 | |
| 405 | P | C | -0.7076 | |
| 406 | T | C | -0.1837 | |
| 407 | L | C | 0.1814 | |
| 408 | I | C | 0.0000 | |
| 409 | E | C | 0.0000 | |
| 410 | L | C | 0.0000 | |
| 411 | F | C | 0.0000 | |
| 412 | L | C | 0.0000 | |
| 413 | V | C | 0.0000 | |
| 414 | K | C | 0.0000 | |
| 415 | A | C | 0.0000 | |
| 416 | K | C | -1.0178 | |
| 417 | I | C | 0.0000 | |
| 418 | Y | C | -0.7913 | |
| 419 | K | C | -1.3590 | |
| 420 | H | C | -1.5141 | |
| 421 | A | C | -0.6111 | |
| 422 | G | C | -0.5382 | |
| 423 | N | C | -0.5507 | |
| 424 | I | C | -1.0791 | |
| 425 | K | C | -1.5019 | |
| 426 | E | C | -1.5610 | |
| 427 | A | C | 0.0000 | |
| 428 | A | C | 0.0000 | |
| 429 | R | C | -2.6531 | |
| 430 | W | C | -1.5960 | |
| 431 | M | C | 0.0000 | |
| 432 | D | C | -1.9077 | |
| 433 | E | C | -1.6275 | |
| 434 | A | C | 0.0000 | |
| 435 | Q | C | 0.0000 | |
| 436 | A | C | -0.3455 | |
| 437 | L | C | 0.0925 | |
| 438 | D | C | -0.3420 | |
| 439 | T | C | -0.3847 | |
| 440 | A | C | -0.4238 | |
| 441 | D | C | -0.3328 | |
| 442 | R | C | 0.0000 | |
| 443 | F | C | 0.0000 | |
| 444 | I | C | 0.0000 | |
| 445 | N | C | 0.0000 | |
| 446 | S | C | 0.0000 | |
| 447 | K | C | -0.7387 | |
| 448 | C | C | 0.0000 | |
| 449 | A | C | 0.0000 | |
| 450 | K | C | -0.9764 | |
| 451 | Y | C | 0.0000 | |
| 452 | M | C | -1.3549 | |
| 453 | L | C | 0.0000 | |
| 454 | K | C | -1.1286 | |
| 455 | A | C | 0.0000 | |
| 456 | N | C | -0.9416 | |
| 457 | L | C | -0.9403 | |
| 458 | I | C | -1.4257 | |
| 459 | K | C | -2.6136 | |
| 460 | E | C | -2.5090 | |
| 461 | A | C | 0.0000 | |
| 462 | E | C | -2.3296 | |
| 463 | E | C | -3.1452 | |
| 464 | M | C | 0.0000 | |
| 465 | C | C | 0.0000 | |
| 466 | S | C | -2.2248 | |
| 467 | K | C | -2.5288 | |
| 468 | F | C | -1.5832 | |
| 469 | T | C | -2.1077 | |
| 470 | R | C | -3.0532 | |
| 471 | E | C | -3.1128 | |
| 472 | G | C | -1.7545 | |
| 473 | T | C | -1.4459 | |
| 474 | S | C | -1.4389 | |
| 475 | A | C | 0.0000 | |
| 476 | V | C | -1.2145 | |
| 477 | E | C | -2.1482 | |
| 478 | N | C | 0.0000 | |
| 479 | L | C | 0.0000 | |
| 480 | N | C | -1.6585 | |
| 481 | E | C | -2.3268 | |
| 482 | M | C | -1.2611 | |
| 483 | Q | C | 0.0000 | |
| 484 | C | C | 0.0000 | |
| 485 | M | C | 0.0000 | |
| 486 | W | C | 0.0000 | |
| 487 | F | C | 0.0000 | |
| 488 | Q | C | 0.0000 | |
| 489 | T | C | 0.0000 | |
| 490 | E | C | 0.0000 | |
| 491 | C | C | 0.0000 | |
| 492 | A | C | 0.0000 | |
| 493 | Q | C | -0.6377 | |
| 494 | A | C | 0.0000 | |
| 495 | Y | C | -1.1562 | |
| 496 | K | C | -1.4265 | |
| 497 | A | C | -0.8449 | |
| 498 | M | C | -0.9181 | |
| 499 | N | C | -1.9292 | |
| 500 | K | C | -2.2510 | |
| 501 | F | C | 0.0000 | |
| 502 | G | C | 0.0000 | |
| 503 | E | C | -1.6662 | |
| 504 | A | C | 0.0000 | |
| 505 | L | C | 0.0000 | |
| 506 | K | C | -1.2316 | |
| 507 | K | C | -0.8539 | |
| 508 | C | C | 0.0000 | |
| 509 | H | C | -0.8613 | |
| 510 | E | C | -0.7324 | |
| 511 | I | C | 0.0000 | |
| 512 | E | C | -0.6949 | |
| 513 | R | C | -0.8444 | |
| 514 | H | C | 0.0000 | |
| 515 | F | C | 0.0000 | |
| 516 | I | C | 0.3561 | |
| 517 | E | C | -0.4746 | |
| 518 | I | C | 0.0000 | |
| 519 | T | C | -0.3468 | |
| 520 | D | C | -0.7878 | |
| 521 | D | C | -0.7909 | |
| 522 | Q | C | 0.0000 | |
| 523 | F | C | -0.4863 | |
| 524 | D | C | -1.1415 | |
| 525 | F | C | 0.0000 | |
| 526 | H | C | 0.0000 | |
| 527 | T | C | -0.8664 | |
| 528 | Y | C | -0.8718 | |
| 529 | C | C | 0.0000 | |
| 530 | M | C | 0.0000 | |
| 531 | R | C | -2.2216 | |
| 532 | K | C | -1.6109 | |
| 533 | I | C | 0.0000 | |
| 534 | T | C | 0.0000 | |
| 535 | L | C | 0.0000 | |
| 536 | R | C | -0.4527 | |
| 537 | S | C | 0.0000 | |
| 538 | Y | C | 0.0000 | |
| 539 | V | C | 0.0000 | |
| 540 | D | C | -1.5981 | |
| 541 | L | C | 0.0000 | |
| 542 | L | C | 0.0000 | |
| 543 | K | C | -1.9851 | |
| 544 | L | C | -1.6857 | |
| 545 | E | C | 0.0000 | |
| 546 | D | C | -2.1609 | |
| 547 | V | C | -1.3357 | |
| 548 | L | C | 0.0000 | |
| 549 | R | C | -0.9805 | |
| 550 | Q | C | -1.6485 | |
| 551 | H | C | -1.0201 | |
| 552 | P | C | -0.6142 | |
| 553 | F | C | -0.3119 | |
| 554 | Y | C | 0.0000 | |
| 555 | F | C | -0.5678 | |
| 556 | K | C | -0.5871 | |
| 557 | A | C | 0.0000 | |
| 558 | A | C | 0.0000 | |
| 559 | R | C | -0.8559 | |
| 560 | I | C | 0.0000 | |
| 561 | A | C | 0.0000 | |
| 562 | I | C | 0.0000 | |
| 563 | E | C | -1.2619 | |
| 564 | I | C | 0.0000 | |
| 565 | Y | C | 0.0000 | |
| 566 | L | C | 0.0000 | |
| 567 | K | C | -2.3249 | |
| 568 | L | C | 0.0000 | |
| 569 | H | C | -2.3671 | |
| 570 | D | C | -2.8543 | |
| 571 | N | C | -2.1340 | |
| 572 | P | C | -1.2979 | |
| 573 | L | C | 0.4444 | |
| 640 | E | C | -2.5389 | |
| 641 | E | C | -2.3722 | |
| 642 | L | C | -1.3468 | |
| 643 | I | C | -0.8164 | |
| 644 | P | C | -1.8953 | |
| 645 | E | C | -2.9893 | |
| 646 | K | C | -2.9040 | |
| 647 | L | C | 0.0000 | |
| 648 | A | C | 0.0000 | |
| 649 | K | C | -2.8143 | |
| 650 | V | C | -2.3764 | |
| 651 | E | C | -2.6545 | |
| 652 | T | C | -1.7338 | |
| 653 | P | C | -1.9238 | |
| 654 | L | C | -1.7497 | |
| 655 | E | C | -2.3466 | |
| 656 | E | C | -1.6973 | |
| 657 | A | C | 0.0000 | |
| 658 | I | C | -1.1471 | |
| 659 | K | C | -2.0365 | |
| 660 | F | C | 0.0000 | |
| 661 | L | C | 0.0000 | |
| 662 | T | C | -0.9032 | |
| 663 | P | C | -1.1475 | |
| 664 | L | C | 0.0000 | |
| 665 | K | C | -1.7151 | |
| 666 | N | C | -1.8891 | |
| 667 | L | C | -1.7699 | |
| 668 | V | C | 0.0000 | |
| 669 | K | C | -3.1403 | |
| 670 | N | C | -2.5111 | |
| 671 | K | C | -2.2861 | |
| 672 | I | C | 0.0000 | |
| 673 | E | C | -1.2945 | |
| 674 | T | C | 0.0000 | |
| 675 | H | C | 0.0000 | |
| 676 | L | C | 0.0000 | |
| 677 | F | C | 0.0000 | |
| 678 | A | C | 0.0000 | |
| 679 | F | C | 0.0000 | |
| 680 | E | C | -0.4669 | |
| 681 | I | C | 0.0000 | |
| 682 | Y | C | -0.5498 | |
| 683 | F | C | -0.6610 | |
| 684 | R | C | -1.5215 | |
| 685 | K | C | -1.7432 | |
| 686 | E | C | -2.3513 | |
| 687 | K | C | -1.0829 | |
| 688 | F | C | 0.0000 | |
| 689 | L | C | -0.1643 | |
| 690 | L | C | -0.1550 | |
| 691 | M | C | 0.0000 | |
| 692 | L | C | 0.0000 | |
| 693 | Q | C | -0.8629 | |
| 694 | S | C | 0.0000 | |
| 695 | V | C | 0.0000 | |
| 696 | K | C | -1.6032 | |
| 697 | R | C | -1.5296 | |
| 698 | A | C | 0.0000 | |
| 699 | F | C | -0.4228 | |
| 700 | A | C | -0.2916 | |
| 701 | I | C | -0.3573 | |
| 702 | D | C | -0.7742 | |
| 703 | S | C | -0.5869 | |
| 704 | S | C | -0.7060 | |
| 705 | H | C | -0.4626 | |
| 706 | P | C | -0.3685 | |
| 707 | W | C | -0.0556 | |
| 708 | L | C | 0.0000 | |
| 709 | H | C | 0.0000 | |
| 710 | E | C | -0.2418 | |
| 711 | C | C | 0.0000 | |
| 712 | M | C | 0.0000 | |
| 713 | I | C | 0.0000 | |
| 714 | R | C | -0.1114 | |
| 715 | L | C | 0.0000 | |
| 716 | F | C | 0.0000 | |
| 717 | N | C | -0.2440 | |
| 718 | T | C | -0.5270 | |
| 719 | A | C | 0.0000 | |
| 720 | V | C | -0.0303 | |
| 721 | C | C | -0.1326 | |
| 722 | E | C | -1.4007 | |
| 723 | S | C | -1.3346 | |
| 724 | K | C | -2.3128 | |
| 725 | D | C | -2.7170 | |
| 726 | L | C | 0.0000 | |
| 727 | S | C | -1.9750 | |
| 728 | D | C | -2.4567 | |
| 729 | T | C | -1.3695 | |
| 730 | V | C | 0.0000 | |
| 731 | R | C | -1.8153 | |
| 732 | T | C | -1.3768 | |
| 733 | V | C | 0.0000 | |
| 734 | L | C | 0.0000 | |
| 735 | K | C | -2.1962 | |
| 736 | Q | C | -2.3014 | |
| 737 | E | C | -2.3043 | |
| 738 | M | C | 0.0000 | |
| 739 | N | C | -2.7696 | |
| 740 | R | C | -2.9328 | |
| 741 | L | C | -1.5488 | |
| 742 | F | C | 0.0000 | |
| 743 | G | C | -1.5958 | |
| 744 | A | C | -1.1409 | |
| 745 | T | C | -1.2732 | |
| 746 | N | C | -1.6770 | |
| 747 | P | C | 0.0000 | |
| 748 | K | C | -2.4283 | |
| 749 | N | C | -2.2014 | |
| 750 | F | C | -1.2000 | |
| 751 | N | C | 0.0000 | |
| 752 | E | C | -1.8235 | |
| 753 | T | C | -1.7721 | |
| 754 | F | C | 0.0000 | |
| 755 | L | C | 0.0000 | |
| 756 | K | C | -3.0497 | |
| 757 | R | C | -3.1324 | |
| 758 | N | C | -2.3656 | |
| 759 | S | C | -2.2173 | |
| 760 | D | C | -3.0976 | |
| 761 | S | C | -1.6678 | |
| 762 | L | C | 0.0000 | |
| 763 | P | C | -1.1648 | |
| 764 | H | C | -1.2656 | |
| 765 | R | C | -1.0981 | |
| 766 | L | C | 0.0000 | |
| 767 | S | C | 0.0000 | |
| 768 | A | C | 0.0000 | |
| 769 | A | C | 0.0000 | |
| 770 | K | C | -0.2965 | |
| 771 | M | C | 0.0000 | |
| 772 | V | C | 0.0000 | |
| 773 | Y | C | -0.3931 | |
| 774 | Y | C | 0.1637 | |
| 775 | L | C | -0.3333 | |
| 776 | D | C | -0.7662 | |
| 777 | P | C | -0.8339 | |
| 778 | S | C | -0.9768 | |
| 779 | S | C | -1.2624 | |
| 780 | Q | C | -2.0863 | |
| 781 | K | C | -2.7468 | |
| 782 | R | C | -2.4957 | |
| 783 | A | C | 0.0000 | |
| 784 | I | C | -1.6266 | |
| 785 | E | C | -2.4610 | |
| 786 | L | C | -1.2527 | |
| 787 | A | C | 0.0000 | |
| 788 | T | C | -0.4763 | |
| 789 | T | C | -1.1161 | |
| 790 | L | C | -1.2223 | |
| 791 | D | C | -2.8817 | |
| 792 | E | C | -3.0769 | |
| 793 | S | C | -2.1600 | |
| 794 | L | C | -2.2263 | |
| 795 | T | C | -1.8481 | |
| 796 | N | C | -2.0337 | |
| 797 | R | C | -1.9901 | |
| 798 | N | C | -1.1645 | |
| 799 | L | C | 0.0000 | |
| 800 | Q | C | -1.9524 | |
| 801 | T | C | 0.0000 | |
| 802 | C | C | 0.0000 | |
| 803 | M | C | -1.5345 | |
| 804 | E | C | -2.7054 | |
| 805 | V | C | 0.0000 | |
| 806 | L | C | 0.0000 | |
| 807 | E | C | -2.5663 | |
| 808 | A | C | 0.0000 | |
| 809 | L | C | 0.0000 | |
| 810 | Y | C | -1.2558 | |
| 811 | D | C | -2.3246 | |
| 812 | G | C | -1.7439 | |
| 813 | S | C | -1.0552 | |
| 814 | L | C | 0.0000 | |
| 815 | G | C | -1.4612 | |
| 816 | D | C | -2.7120 | |
| 817 | C | C | 0.0000 | |
| 818 | K | C | -2.8484 | |
| 819 | E | C | -2.7598 | |
| 820 | A | C | -1.5212 | |
| 821 | A | C | 0.0000 | |
| 822 | E | C | -1.0780 | |
| 823 | I | C | 0.6761 | |
| 824 | Y | C | 0.0000 | |
| 825 | R | C | 0.0000 | |
| 826 | A | C | -0.1504 | |
| 827 | N | C | -0.4987 | |
| 828 | C | C | 0.0000 | |
| 829 | H | C | -0.6751 | |
| 830 | K | C | -1.7057 | |
| 831 | L | C | -0.5926 | |
| 832 | F | C | -0.2177 | |
| 833 | P | C | -0.3824 | |
| 834 | Y | C | 0.0174 | |
| 835 | A | C | 0.0000 | |
| 836 | L | C | 0.7565 | |
| 837 | A | C | 0.3324 | |
| 838 | F | C | 0.0000 | |
| 839 | M | C | 0.2135 | |
| 840 | P | C | -0.2570 | |
| 841 | P | C | -0.2924 | |
| 1 | M | D | -0.0849 | |
| 2 | N | D | 0.0000 | |
| 3 | I | D | 0.0000 | |
| 4 | R | D | -0.4860 | |
| 5 | N | D | -0.4947 | |
| 6 | A | D | 0.0000 | |
| 7 | R | D | -1.3873 | |
| 8 | P | D | 0.0000 | |
| 9 | E | D | -2.3073 | |
| 10 | D | D | -1.5707 | |
| 11 | L | D | 0.0000 | |
| 12 | M | D | 0.0000 | |
| 13 | N | D | -1.1689 | |
| 14 | M | D | 0.0000 | |
| 15 | Q | D | 0.0000 | |
| 16 | H | D | -0.5268 | |
| 17 | C | D | 0.0000 | |
| 18 | N | D | 0.0000 | |
| 19 | L | D | 0.0000 | |
| 20 | L | D | 0.0621 | |
| 21 | C | D | -0.0061 | |
| 22 | L | D | -0.0898 | |
| 23 | P | D | -0.8753 | |
| 24 | E | D | -1.1719 | |
| 25 | N | D | -0.7707 | |
| 26 | Y | D | -0.4913 | |
| 27 | Q | D | -1.1435 | |
| 28 | M | D | 0.0000 | |
| 29 | K | D | -0.8269 | |
| 30 | Y | D | -0.0290 | |
| 31 | Y | D | 0.0000 | |
| 32 | F | D | 0.0000 | |
| 33 | Y | D | 0.1358 | |
| 34 | H | D | 0.0000 | |
| 35 | G | D | -0.2777 | |
| 36 | L | D | 0.0000 | |
| 37 | S | D | 0.0000 | |
| 38 | W | D | 0.1773 | |
| 39 | P | D | 0.0000 | |
| 40 | Q | D | 0.0000 | |
| 41 | L | D | 0.0000 | |
| 42 | S | D | 0.0000 | |
| 43 | Y | D | 0.0000 | |
| 44 | I | D | 0.0000 | |
| 45 | A | D | 0.0000 | |
| 46 | E | D | 0.0000 | |
| 47 | D | D | 0.0000 | |
| 48 | E | D | -1.9060 | |
| 49 | N | D | -2.2929 | |
| 50 | G | D | -1.9489 | |
| 51 | K | D | -2.4481 | |
| 52 | I | D | 0.0000 | |
| 53 | V | D | 0.0000 | |
| 54 | G | D | 0.0000 | |
| 55 | Y | D | 0.0000 | |
| 56 | V | D | 0.0000 | |
| 57 | L | D | 0.0000 | |
| 58 | A | D | 0.0000 | |
| 59 | K | D | -0.6602 | |
| 60 | M | D | 0.0000 | |
| 61 | E | D | -2.4326 | |
| 62 | E | D | -3.6136 | |
| 63 | D | D | -3.5756 | |
| 64 | P | D | -3.0443 | |
| 65 | D | D | -3.2553 | |
| 66 | D | D | -2.9546 | |
| 67 | V | D | -1.2957 | |
| 68 | P | D | -1.6611 | |
| 69 | H | D | 0.0000 | |
| 70 | G | D | 0.0000 | |
| 71 | H | D | -0.5649 | |
| 72 | I | D | 0.0000 | |
| 73 | T | D | -0.2523 | |
| 74 | S | D | -0.1299 | |
| 75 | L | D | 0.2661 | |
| 76 | A | D | 0.0000 | |
| 77 | V | D | -0.0271 | |
| 78 | K | D | -0.2712 | |
| 79 | R | D | -0.7420 | |
| 80 | S | D | -0.6168 | |
| 81 | H | D | 0.0000 | |
| 82 | R | D | -1.4714 | |
| 83 | R | D | -2.1430 | |
| 84 | L | D | 0.0000 | |
| 85 | G | D | -1.1445 | |
| 86 | L | D | 0.0000 | |
| 87 | A | D | 0.0000 | |
| 88 | Q | D | -1.2015 | |
| 89 | K | D | -1.2435 | |
| 90 | L | D | 0.0000 | |
| 91 | M | D | 0.0000 | |
| 92 | D | D | -2.1586 | |
| 93 | Q | D | -1.3428 | |
| 94 | A | D | 0.0000 | |
| 95 | S | D | 0.0000 | |
| 96 | R | D | -0.9186 | |
| 97 | A | D | 0.0000 | |
| 98 | M | D | 0.0000 | |
| 99 | I | D | 0.0000 | |
| 100 | E | D | -0.8199 | |
| 101 | N | D | 0.0000 | |
| 102 | F | D | -0.6814 | |
| 103 | N | D | -1.3269 | |
| 104 | A | D | 0.0000 | |
| 105 | K | D | -1.3913 | |
| 106 | Y | D | -1.3577 | |
| 107 | V | D | 0.0000 | |
| 108 | S | D | -0.9674 | |
| 109 | L | D | 0.0000 | |
| 110 | H | D | -0.5634 | |
| 111 | V | D | 0.0000 | |
| 112 | R | D | -1.4994 | |
| 113 | K | D | -1.6897 | |
| 114 | S | D | -1.5808 | |
| 115 | N | D | -1.9810 | |
| 116 | R | D | -2.5107 | |
| 117 | A | D | -1.2325 | |
| 118 | A | D | -1.1017 | |
| 119 | L | D | -1.3651 | |
| 120 | H | D | -1.6762 | |
| 121 | L | D | -0.8397 | |
| 122 | Y | D | -0.9402 | |
| 123 | S | D | -1.5300 | |
| 124 | N | D | -1.9310 | |
| 125 | T | D | -1.1423 | |
| 126 | L | D | 0.0000 | |
| 127 | N | D | -2.2995 | |
| 128 | F | D | 0.0000 | |
| 129 | Q | D | -2.0630 | |
| 130 | I | D | -0.5600 | |
| 131 | S | D | -1.2389 | |
| 132 | E | D | -1.8657 | |
| 133 | V | D | -1.0625 | |
| 134 | E | D | -1.7585 | |
| 135 | P | D | -1.6361 | |
| 136 | K | D | -2.3269 | |
| 137 | Y | D | -0.9182 | |
| 138 | Y | D | -1.1142 | |
| 139 | A | D | -1.0904 | |
| 140 | D | D | -2.5296 | |
| 141 | G | D | -1.8569 | |
| 142 | E | D | -2.0516 | |
| 143 | D | D | -1.9238 | |
| 144 | A | D | 0.0000 | |
| 145 | Y | D | -0.7596 | |
| 146 | A | D | -0.9339 | |
| 147 | M | D | 0.0000 | |
| 148 | K | D | -2.1192 | |
| 149 | R | D | -2.4153 | |
| 150 | D | D | -2.5632 | |
| 151 | L | D | 0.0000 | |
| 152 | T | D | -1.9987 | |
| 153 | Q | D | -2.6072 | |
| 154 | M | D | -2.1476 | |
| 155 | A | D | -2.7535 | |
| 156 | D | D | -3.7386 | |
| 157 | E | D | -3.3265 | |
| 158 | L | D | -2.4281 | |
| 159 | R | D | -3.6573 | |
| 160 | R | D | -3.4401 |
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 | -0.9309 | 2.9216 | View | CSV | PDB |
| 4.5 | -1.0037 | 2.8997 | View | CSV | PDB |
| 5.0 | -1.0944 | 2.8761 | View | CSV | PDB |
| 5.5 | -1.185 | 2.8556 | View | CSV | PDB |
| 6.0 | -1.2554 | 2.8387 | View | CSV | PDB |
| 6.5 | -1.2901 | 2.8266 | View | CSV | PDB |
| 7.0 | -1.2867 | 2.8201 | View | CSV | PDB |
| 7.5 | -1.2561 | 2.8175 | View | CSV | PDB |
| 8.0 | -1.2105 | 2.8166 | View | CSV | PDB |
| 8.5 | -1.1554 | 2.8163 | View | CSV | PDB |
| 9.0 | -1.0914 | 2.8162 | 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