| Chain sequence(s) |
A: AVPGLRAAETLDESGGGLVSPGGSLTLVCKGSGFTFSSNEMYWVRQAPGKGLEWVAGITTGGYTGYAPAVKGRFTISRNNGQSTLTLQMNSLKAEDTATYYCAKITGYANCAGYGCAADIDLWGHGTEVTVSSGSPTAPSVFPISSCCGSTQQQPVVGCLATGYIPGPATFSWSGASGATSVTVPETHGVGPHKRASFLRPPHAGSGDFFTCSVNHQATRTSLTQNVEGCVAGGEPTPPEVQVLHSSVCSTLGDDSVELLCVITGFSPPPVEVEWLVDGAPAHLVATMTRPQREAGSKTYMATSQTNVSREDWKAGKAFTCRVKHPATGGTAQGHARFCPEF
C: MAWAPLLLAVLAHTSGSLVQAALTQPASKSVNPGDTVQITCSGSSSDYGWFQQKTPGSAPVTVIYQNNKRPSGIPSRFSGSKSGSTATLTITGVQAEDEAVYYCGSYDSSYVGVFGAGTTLTVLGQPKVSPTVHVFPPSDEEISSQNKATLVCLMSDFYPSPVTVTWKVNGSTRSSGVETSASQRQSNSKYMASSYLTLSASEWKGANSVVCQVTHDGTPIEKTLNKSEC B: AVPGLRAAETLDESGGGLVSPGGSLTLVCKGSGFTFSSNEMYWVRQAPGKGLEWVAGITTGGYTGYAPAVKGRFTISRNNGQSTLTLQMNSLKAEDTATYYCAKITGYANCAGYGCAADIDLWGHGTEVTVSSGSPTAPSVFPISSCCGSTQQQPVVGCLATGYIPGPATFSWSGASGATSVTVPETHGVGPHKRASFLRPPHAGSGDFFTCSVNHQATRTSLTQNVEGCVAGGEPTPPEVQVLHSSVCSTLGDDSVELLCVITGFSPPPVEVEWLVDGAPAHLVATMTRPQREAGSKTYMATSQTNVSREDWKAGKAFTCRVKHPATGGTAQGHARFCPEF D: MAWAPLLLAVLAHTSGSLVQAALTQPASKSVNPGDTVQITCSGSSSDYGWFQQKTPGSAPVTVIYQNNKRPSGIPSRFSGSKSGSTATLTITGVQAEDEAVYYCGSYDSSYVGVFGAGTTLTVLGQPKVSPTVHVFPPSDEEISSQNKATLVCLMSDFYPSPVTVTWKVNGSTRSSGVETSASQRQSNSKYMASSYLTLSASEWKGANSVVCQVTHDGTPIEKTLNKSEC 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 |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:09)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:09)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:09)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:09)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:14)
[INFO] FoldX: Starting FoldX energy minimization (00:00:15)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:11:14)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/6644885f7de209c/tmp/folded.pdb (00:11:14)
[INFO] Main: Simulation completed successfully. (00:22:10)
|
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 | A | A | 0.7665 | |
| 2 | V | A | 1.7691 | |
| 3 | P | A | 0.4842 | |
| 4 | G | A | 0.1564 | |
| 5 | L | A | 0.6506 | |
| 6 | R | A | -1.4342 | |
| 7 | A | A | -0.8536 | |
| 8 | A | A | -0.9292 | |
| 9 | E | A | -1.6845 | |
| 10 | T | A | -1.2265 | |
| 11 | L | A | 0.0000 | |
| 12 | D | A | -1.3992 | |
| 13 | E | A | 0.0000 | |
| 14 | S | A | -0.9234 | |
| 15 | G | A | -0.6508 | |
| 16 | G | A | -0.9260 | |
| 17 | G | A | -0.6329 | |
| 18 | L | A | -0.0893 | |
| 19 | V | A | -0.1935 | |
| 20 | S | A | -0.6056 | |
| 21 | P | A | -1.1690 | |
| 22 | G | A | -1.1009 | |
| 23 | G | A | -0.7614 | |
| 24 | S | A | -0.7403 | |
| 25 | L | A | -0.2376 | |
| 26 | T | A | -0.2686 | |
| 27 | L | A | 0.0000 | |
| 28 | V | A | -0.1615 | |
| 29 | C | A | 0.0000 | |
| 30 | K | A | -1.6997 | |
| 31 | G | A | -1.3810 | |
| 32 | S | A | -1.0286 | |
| 33 | G | A | -1.1102 | |
| 34 | F | A | -0.6689 | |
| 35 | T | A | -0.3978 | |
| 36 | F | A | 0.0000 | |
| 37 | S | A | -0.8749 | |
| 38 | S | A | -0.3048 | |
| 39 | N | A | 0.0000 | |
| 40 | E | A | 0.0000 | |
| 41 | M | A | 0.0000 | |
| 42 | Y | A | 0.0000 | |
| 43 | W | A | 0.0000 | |
| 44 | V | A | 0.0000 | |
| 45 | R | A | 0.0000 | |
| 46 | Q | A | -1.0796 | |
| 47 | A | A | -1.4925 | |
| 48 | P | A | -1.4145 | |
| 49 | G | A | -1.7423 | |
| 50 | K | A | -1.7794 | |
| 51 | G | A | -0.8638 | |
| 52 | L | A | 0.0000 | |
| 53 | E | A | -0.2804 | |
| 54 | W | A | 0.0000 | |
| 55 | V | A | 0.0000 | |
| 56 | A | A | 0.0000 | |
| 57 | G | A | 0.0000 | |
| 58 | I | A | 0.0000 | |
| 59 | T | A | -0.0727 | |
| 60 | T | A | -0.5916 | |
| 61 | G | A | -0.3802 | |
| 62 | G | A | -0.1145 | |
| 63 | Y | A | 1.0734 | |
| 64 | T | A | 0.5639 | |
| 65 | G | A | 0.3436 | |
| 66 | Y | A | -0.2930 | |
| 67 | A | A | 0.0000 | |
| 68 | P | A | -0.8093 | |
| 69 | A | A | -0.8593 | |
| 70 | V | A | 0.0000 | |
| 71 | K | A | -2.0506 | |
| 72 | G | A | -1.5371 | |
| 73 | R | A | -1.3744 | |
| 74 | F | A | 0.0000 | |
| 75 | T | A | -0.7090 | |
| 76 | I | A | 0.0000 | |
| 77 | S | A | -0.3632 | |
| 78 | R | A | -1.2388 | |
| 79 | N | A | -1.8805 | |
| 80 | N | A | -1.7471 | |
| 81 | G | A | -1.5951 | |
| 82 | Q | A | -2.0898 | |
| 83 | S | A | -1.6091 | |
| 84 | T | A | -1.4474 | |
| 85 | L | A | 0.0000 | |
| 86 | T | A | -0.3561 | |
| 87 | L | A | 0.0000 | |
| 88 | Q | A | -0.5143 | |
| 89 | M | A | 0.0000 | |
| 90 | N | A | -1.2114 | |
| 91 | S | A | -1.0830 | |
| 92 | L | A | 0.0000 | |
| 93 | K | A | -1.9465 | |
| 94 | A | A | -1.3590 | |
| 95 | E | A | -2.1590 | |
| 96 | D | A | 0.0000 | |
| 97 | T | A | 0.0000 | |
| 98 | A | A | 0.0000 | |
| 99 | T | A | -1.0541 | |
| 100 | Y | A | 0.0000 | |
| 101 | Y | A | 0.0000 | |
| 102 | C | A | 0.0000 | |
| 103 | A | A | 0.0000 | |
| 104 | K | A | 0.0000 | |
| 105 | I | A | 0.0000 | |
| 106 | T | A | 0.0000 | |
| 107 | G | A | -0.1188 | |
| 108 | Y | A | 0.7839 | |
| 109 | A | A | 0.0000 | |
| 110 | N | A | -0.9887 | |
| 111 | C | A | 0.0000 | |
| 112 | A | A | 0.0994 | |
| 113 | G | A | 0.0000 | |
| 114 | Y | A | 0.8828 | |
| 115 | G | A | 0.0000 | |
| 116 | C | A | 0.0000 | |
| 117 | A | A | 0.0000 | |
| 118 | A | A | 0.0000 | |
| 119 | D | A | 0.0000 | |
| 120 | I | A | 0.0000 | |
| 121 | D | A | -0.3596 | |
| 122 | L | A | 0.1008 | |
| 123 | W | A | 0.0000 | |
| 124 | G | A | 0.0000 | |
| 125 | H | A | -1.1098 | |
| 126 | G | A | -1.1793 | |
| 127 | T | A | 0.0000 | |
| 128 | E | A | -2.0217 | |
| 129 | V | A | 0.0000 | |
| 130 | T | A | 0.0000 | |
| 131 | V | A | 0.0000 | |
| 132 | S | A | 0.0000 | |
| 133 | S | A | -0.3860 | |
| 134 | G | A | -0.4185 | |
| 135 | S | A | -0.4402 | |
| 136 | P | A | -0.3920 | |
| 137 | T | A | -0.3453 | |
| 138 | A | A | -0.6620 | |
| 139 | P | A | 0.0000 | |
| 140 | S | A | -0.2229 | |
| 141 | V | A | -0.0597 | |
| 142 | F | A | 0.0000 | |
| 143 | P | A | -0.6681 | |
| 144 | I | A | 0.0000 | |
| 145 | S | A | 0.0000 | |
| 146 | S | A | 0.0058 | |
| 147 | C | A | 0.0000 | |
| 148 | C | A | -0.2221 | |
| 149 | G | A | -0.7061 | |
| 150 | S | A | -0.7284 | |
| 151 | T | A | -0.8554 | |
| 152 | Q | A | -1.0257 | |
| 153 | Q | A | -1.6117 | |
| 154 | Q | A | -1.3201 | |
| 155 | P | A | 0.0000 | |
| 156 | V | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | G | A | 0.0000 | |
| 159 | C | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | A | A | 0.0000 | |
| 162 | T | A | 0.0000 | |
| 163 | G | A | -0.4192 | |
| 164 | Y | A | 0.0000 | |
| 165 | I | A | 0.0000 | |
| 166 | P | A | 0.0000 | |
| 167 | G | A | -0.8602 | |
| 168 | P | A | -0.9531 | |
| 169 | A | A | 0.0000 | |
| 170 | T | A | -0.6366 | |
| 171 | F | A | -0.1217 | |
| 172 | S | A | -0.2434 | |
| 173 | W | A | -0.1681 | |
| 174 | S | A | -0.4386 | |
| 175 | G | A | -0.5343 | |
| 176 | A | A | -0.4135 | |
| 177 | S | A | -0.5940 | |
| 178 | G | A | -0.8959 | |
| 179 | A | A | -0.7621 | |
| 180 | T | A | -0.3146 | |
| 181 | S | A | -0.1281 | |
| 182 | V | A | -0.0627 | |
| 183 | T | A | -0.1366 | |
| 184 | V | A | 0.0000 | |
| 185 | P | A | -0.5973 | |
| 186 | E | A | -0.9144 | |
| 187 | T | A | 0.0000 | |
| 188 | H | A | -1.5118 | |
| 189 | G | A | -0.5694 | |
| 190 | V | A | 0.0260 | |
| 191 | G | A | -0.3530 | |
| 192 | P | A | -0.5209 | |
| 193 | H | A | 0.0000 | |
| 194 | K | A | -0.7910 | |
| 195 | R | A | -0.5372 | |
| 196 | A | A | 0.0000 | |
| 197 | S | A | 0.0000 | |
| 198 | F | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | R | A | -0.6916 | |
| 201 | P | A | 0.0000 | |
| 202 | P | A | -1.1674 | |
| 203 | H | A | -1.1895 | |
| 204 | A | A | 0.0000 | |
| 205 | G | A | 0.0000 | |
| 206 | S | A | -0.0684 | |
| 207 | G | A | 0.0000 | |
| 208 | D | A | 0.2209 | |
| 209 | F | A | 0.8754 | |
| 210 | F | A | 0.0000 | |
| 211 | T | A | -0.4611 | |
| 212 | C | A | 0.0000 | |
| 213 | S | A | -0.4209 | |
| 214 | V | A | 0.0000 | |
| 215 | N | A | -1.5620 | |
| 216 | H | A | 0.0000 | |
| 217 | Q | A | -2.2371 | |
| 218 | A | A | -1.2973 | |
| 219 | T | A | -1.4810 | |
| 220 | R | A | -2.5316 | |
| 221 | T | A | -1.4531 | |
| 222 | S | A | -1.0054 | |
| 223 | L | A | 0.0326 | |
| 224 | T | A | -0.3824 | |
| 225 | Q | A | -0.6810 | |
| 226 | N | A | -1.1001 | |
| 227 | V | A | 0.0000 | |
| 228 | E | A | 0.0000 | |
| 229 | G | A | 0.0000 | |
| 230 | C | A | 0.4645 | |
| 231 | V | A | 0.3683 | |
| 232 | A | A | -0.5594 | |
| 233 | G | A | -1.1806 | |
| 234 | G | A | -1.8672 | |
| 235 | E | A | -2.4813 | |
| 236 | P | A | -1.5380 | |
| 237 | T | A | -1.1318 | |
| 238 | P | A | -1.1650 | |
| 239 | P | A | 0.0000 | |
| 240 | E | A | -2.1230 | |
| 241 | V | A | 0.0000 | |
| 242 | Q | A | -1.1650 | |
| 243 | V | A | 0.0000 | |
| 244 | L | A | 0.0000 | |
| 245 | H | A | 0.0000 | |
| 246 | S | A | -0.4782 | |
| 247 | S | A | 0.0000 | |
| 248 | V | A | -0.4088 | |
| 249 | C | A | 0.0000 | |
| 250 | S | A | -0.1577 | |
| 251 | T | A | 0.3301 | |
| 252 | L | A | 0.5383 | |
| 253 | G | A | -0.9964 | |
| 254 | D | A | -2.3652 | |
| 255 | D | A | -2.9867 | |
| 256 | S | A | -2.2908 | |
| 257 | V | A | 0.0000 | |
| 258 | E | A | -0.9881 | |
| 259 | L | A | 0.0000 | |
| 260 | L | A | 0.0000 | |
| 261 | C | A | 0.0000 | |
| 262 | V | A | 0.0000 | |
| 263 | I | A | 0.0000 | |
| 264 | T | A | -0.8799 | |
| 265 | G | A | -0.9310 | |
| 266 | F | A | 0.0000 | |
| 267 | S | A | 0.0000 | |
| 268 | P | A | -0.8332 | |
| 269 | P | A | 0.0000 | |
| 270 | P | A | -0.7906 | |
| 271 | V | A | -1.0293 | |
| 272 | E | A | -1.7914 | |
| 273 | V | A | -1.1169 | |
| 274 | E | A | -1.3782 | |
| 275 | W | A | 0.0000 | |
| 276 | L | A | -0.9490 | |
| 277 | V | A | -1.0958 | |
| 278 | D | A | -2.1490 | |
| 279 | G | A | -1.4279 | |
| 280 | A | A | -0.6861 | |
| 281 | P | A | -0.8102 | |
| 282 | A | A | -0.5177 | |
| 283 | H | A | -0.4763 | |
| 284 | L | A | 0.3908 | |
| 285 | V | A | 1.4608 | |
| 286 | A | A | 0.5203 | |
| 287 | T | A | 0.2986 | |
| 288 | M | A | 0.0733 | |
| 289 | T | A | -0.8959 | |
| 290 | R | A | -1.9765 | |
| 291 | P | A | -1.3105 | |
| 292 | Q | A | -1.5187 | |
| 293 | R | A | -1.5407 | |
| 294 | E | A | -1.3192 | |
| 295 | A | A | -0.9723 | |
| 296 | G | A | -0.8330 | |
| 297 | S | A | -0.9941 | |
| 298 | K | A | -1.5441 | |
| 299 | T | A | -1.2040 | |
| 300 | Y | A | 0.0000 | |
| 301 | M | A | -0.8140 | |
| 302 | A | A | 0.0000 | |
| 303 | T | A | 0.0000 | |
| 304 | S | A | 0.0000 | |
| 305 | Q | A | -0.4219 | |
| 306 | T | A | 0.0000 | |
| 307 | N | A | -1.0558 | |
| 308 | V | A | 0.0000 | |
| 309 | S | A | -2.0806 | |
| 310 | R | A | -2.6039 | |
| 311 | E | A | -2.9931 | |
| 312 | D | A | -2.2000 | |
| 313 | W | A | 0.0000 | |
| 314 | K | A | -1.9189 | |
| 315 | A | A | -1.5535 | |
| 316 | G | A | -1.6082 | |
| 317 | K | A | -1.9654 | |
| 318 | A | A | -1.5727 | |
| 319 | F | A | 0.0000 | |
| 320 | T | A | 0.0000 | |
| 321 | C | A | 0.0000 | |
| 322 | R | A | -1.7669 | |
| 323 | V | A | 0.0000 | |
| 324 | K | A | -1.9850 | |
| 325 | H | A | 0.0000 | |
| 326 | P | A | -0.9791 | |
| 327 | A | A | -1.0587 | |
| 328 | T | A | -0.8230 | |
| 329 | G | A | -0.8752 | |
| 330 | G | A | -0.7671 | |
| 331 | T | A | -1.3601 | |
| 332 | A | A | -1.4120 | |
| 333 | Q | A | -1.9944 | |
| 334 | G | A | 0.0000 | |
| 335 | H | A | -1.5498 | |
| 336 | A | A | 0.0000 | |
| 337 | R | A | -1.6123 | |
| 338 | F | A | -0.8848 | |
| 339 | C | A | -0.6219 | |
| 340 | P | A | -1.0755 | |
| 341 | E | A | -1.3373 | |
| 342 | F | A | -0.0946 | |
| 1 | A | B | 0.7679 | |
| 2 | V | B | 1.7695 | |
| 3 | P | B | 0.4856 | |
| 4 | G | B | 0.1565 | |
| 5 | L | B | 0.6504 | |
| 6 | R | B | -1.3326 | |
| 7 | A | B | -0.6820 | |
| 8 | A | B | -0.5792 | |
| 9 | E | B | -0.9578 | |
| 10 | T | B | -0.9901 | |
| 11 | L | B | 0.0000 | |
| 12 | D | B | -1.9292 | |
| 13 | E | B | 0.0000 | |
| 14 | S | B | -1.0495 | |
| 15 | G | B | -0.6090 | |
| 16 | G | B | -0.9284 | |
| 17 | G | B | -0.6353 | |
| 18 | L | B | -0.0952 | |
| 19 | V | B | -0.1912 | |
| 20 | S | B | -0.6157 | |
| 21 | P | B | -1.2513 | |
| 22 | G | B | -1.2159 | |
| 23 | G | B | -0.8688 | |
| 24 | S | B | -0.9100 | |
| 25 | L | B | -0.3208 | |
| 26 | T | B | -0.3559 | |
| 27 | L | B | 0.0000 | |
| 28 | V | B | -0.3051 | |
| 29 | C | B | 0.0000 | |
| 30 | K | B | -1.7625 | |
| 31 | G | B | -1.3175 | |
| 32 | S | B | -0.8857 | |
| 33 | G | B | -0.8404 | |
| 34 | F | B | -0.4664 | |
| 35 | T | B | -0.3295 | |
| 36 | F | B | 0.0000 | |
| 37 | S | B | -0.9003 | |
| 38 | S | B | -0.3045 | |
| 39 | N | B | 0.0000 | |
| 40 | E | B | 0.0000 | |
| 41 | M | B | 0.0000 | |
| 42 | Y | B | 0.0000 | |
| 43 | W | B | 0.0000 | |
| 44 | V | B | 0.0000 | |
| 45 | R | B | 0.0000 | |
| 46 | Q | B | -1.0889 | |
| 47 | A | B | -1.4990 | |
| 48 | P | B | -1.3975 | |
| 49 | G | B | -1.7128 | |
| 50 | K | B | -1.7494 | |
| 51 | G | B | -0.8592 | |
| 52 | L | B | 0.0000 | |
| 53 | E | B | -0.2674 | |
| 54 | W | B | 0.0000 | |
| 55 | V | B | 0.0000 | |
| 56 | A | B | 0.0000 | |
| 57 | G | B | 0.0000 | |
| 58 | I | B | 0.0000 | |
| 59 | T | B | -0.0881 | |
| 60 | T | B | -0.6093 | |
| 61 | G | B | -0.3969 | |
| 62 | G | B | -0.1592 | |
| 63 | Y | B | 1.0547 | |
| 64 | T | B | 0.5492 | |
| 65 | G | B | 0.2927 | |
| 66 | Y | B | -0.3265 | |
| 67 | A | B | 0.0000 | |
| 68 | P | B | -0.7730 | |
| 69 | A | B | -0.8663 | |
| 70 | V | B | 0.0000 | |
| 71 | K | B | -2.0663 | |
| 72 | G | B | -1.6274 | |
| 73 | R | B | -1.5759 | |
| 74 | F | B | 0.0000 | |
| 75 | T | B | -0.8307 | |
| 76 | I | B | 0.0000 | |
| 77 | S | B | -0.4087 | |
| 78 | R | B | -1.2675 | |
| 79 | N | B | -1.9241 | |
| 80 | N | B | -1.8377 | |
| 81 | G | B | -1.6386 | |
| 82 | Q | B | -2.0942 | |
| 83 | S | B | -1.5957 | |
| 84 | T | B | -1.4923 | |
| 85 | L | B | 0.0000 | |
| 86 | T | B | -0.3958 | |
| 87 | L | B | 0.0000 | |
| 88 | Q | B | -0.7417 | |
| 89 | M | B | 0.0000 | |
| 90 | N | B | -1.6811 | |
| 91 | S | B | -1.3463 | |
| 92 | L | B | 0.0000 | |
| 93 | K | B | -2.1026 | |
| 94 | A | B | -1.4090 | |
| 95 | E | B | -2.2129 | |
| 96 | D | B | 0.0000 | |
| 97 | T | B | 0.0000 | |
| 98 | A | B | 0.0000 | |
| 99 | T | B | -1.0860 | |
| 100 | Y | B | 0.0000 | |
| 101 | Y | B | 0.0000 | |
| 102 | C | B | 0.0000 | |
| 103 | A | B | 0.0000 | |
| 104 | K | B | 0.0000 | |
| 105 | I | B | 0.0000 | |
| 106 | T | B | 0.0000 | |
| 107 | G | B | -0.0961 | |
| 108 | Y | B | 0.7966 | |
| 109 | A | B | 0.0000 | |
| 110 | N | B | -0.9962 | |
| 111 | C | B | 0.0000 | |
| 112 | A | B | 0.0456 | |
| 113 | G | B | 0.0000 | |
| 114 | Y | B | 0.6866 | |
| 115 | G | B | 0.0000 | |
| 116 | C | B | 0.0000 | |
| 117 | A | B | 0.0000 | |
| 118 | A | B | 0.0000 | |
| 119 | D | B | 0.0000 | |
| 120 | I | B | 0.0000 | |
| 121 | D | B | -0.3386 | |
| 122 | L | B | 0.2353 | |
| 123 | W | B | 0.0000 | |
| 124 | G | B | 0.0000 | |
| 125 | H | B | -1.2563 | |
| 126 | G | B | -1.3075 | |
| 127 | T | B | 0.0000 | |
| 128 | E | B | -2.0783 | |
| 129 | V | B | 0.0000 | |
| 130 | T | B | 0.0000 | |
| 131 | V | B | 0.0000 | |
| 132 | S | B | -0.5533 | |
| 133 | S | B | -0.5139 | |
| 134 | G | B | -0.3980 | |
| 135 | S | B | -0.4302 | |
| 136 | P | B | -0.3920 | |
| 137 | T | B | -0.3428 | |
| 138 | A | B | -0.6455 | |
| 139 | P | B | 0.0000 | |
| 140 | S | B | -0.1992 | |
| 141 | V | B | -0.0270 | |
| 142 | F | B | 0.0000 | |
| 143 | P | B | -0.6291 | |
| 144 | I | B | 0.0000 | |
| 145 | S | B | 0.0000 | |
| 146 | S | B | 0.0000 | |
| 147 | C | B | 0.0000 | |
| 148 | C | B | -0.4601 | |
| 149 | G | B | -0.8367 | |
| 150 | S | B | -0.6441 | |
| 151 | T | B | -0.8543 | |
| 152 | Q | B | -1.0616 | |
| 153 | Q | B | -1.6713 | |
| 154 | Q | B | -1.3501 | |
| 155 | P | B | 0.0000 | |
| 156 | V | B | 0.0000 | |
| 157 | V | B | 0.0000 | |
| 158 | G | B | 0.0000 | |
| 159 | C | B | 0.0000 | |
| 160 | L | B | 0.0000 | |
| 161 | A | B | 0.0000 | |
| 162 | T | B | 0.0000 | |
| 163 | G | B | -0.3720 | |
| 164 | Y | B | 0.0000 | |
| 165 | I | B | 0.0000 | |
| 166 | P | B | 0.0000 | |
| 167 | G | B | -0.8598 | |
| 168 | P | B | -0.9406 | |
| 169 | A | B | 0.0000 | |
| 170 | T | B | -0.6060 | |
| 171 | F | B | -0.0952 | |
| 172 | S | B | -0.2200 | |
| 173 | W | B | -0.2841 | |
| 174 | S | B | -0.4823 | |
| 175 | G | B | -0.6362 | |
| 176 | A | B | -0.4600 | |
| 177 | S | B | -0.5971 | |
| 178 | G | B | -0.9356 | |
| 179 | A | B | -0.7515 | |
| 180 | T | B | -0.4250 | |
| 181 | S | B | -0.1387 | |
| 182 | V | B | -0.0381 | |
| 183 | T | B | -0.1356 | |
| 184 | V | B | 0.0000 | |
| 185 | P | B | -0.5870 | |
| 186 | E | B | -0.8761 | |
| 187 | T | B | 0.0000 | |
| 188 | H | B | -1.3780 | |
| 189 | G | B | -0.7061 | |
| 190 | V | B | 0.0001 | |
| 191 | G | B | -0.3549 | |
| 192 | P | B | -0.4920 | |
| 193 | H | B | 0.0000 | |
| 194 | K | B | -0.7588 | |
| 195 | R | B | -0.5429 | |
| 196 | A | B | 0.0000 | |
| 197 | S | B | 0.0000 | |
| 198 | F | B | 0.0000 | |
| 199 | L | B | 0.0000 | |
| 200 | R | B | -0.6238 | |
| 201 | P | B | 0.0000 | |
| 202 | P | B | -1.0254 | |
| 203 | H | B | -0.9238 | |
| 204 | A | B | 0.0000 | |
| 205 | G | B | -0.4286 | |
| 206 | S | B | -0.3652 | |
| 207 | G | B | 0.0000 | |
| 208 | D | B | -0.4119 | |
| 209 | F | B | 0.2725 | |
| 210 | F | B | 0.0000 | |
| 211 | T | B | -0.5879 | |
| 212 | C | B | 0.0000 | |
| 213 | S | B | -0.3952 | |
| 214 | V | B | 0.0000 | |
| 215 | N | B | -1.4573 | |
| 216 | H | B | 0.0000 | |
| 217 | Q | B | -2.2122 | |
| 218 | A | B | -1.2842 | |
| 219 | T | B | -1.4768 | |
| 220 | R | B | -2.5141 | |
| 221 | T | B | -1.4274 | |
| 222 | S | B | -0.9574 | |
| 223 | L | B | 0.0572 | |
| 224 | T | B | -0.3840 | |
| 225 | Q | B | -0.7138 | |
| 226 | N | B | -1.2256 | |
| 227 | V | B | 0.0000 | |
| 228 | E | B | 0.0000 | |
| 229 | G | B | 0.0000 | |
| 230 | C | B | 0.0000 | |
| 231 | V | B | 0.1766 | |
| 232 | A | B | -0.9207 | |
| 233 | G | B | -1.1142 | |
| 234 | G | B | -1.6878 | |
| 235 | E | B | -2.4361 | |
| 236 | P | B | -1.4371 | |
| 237 | T | B | -1.1939 | |
| 238 | P | B | -1.1646 | |
| 239 | P | B | 0.0000 | |
| 240 | E | B | -2.1043 | |
| 241 | V | B | 0.0000 | |
| 242 | Q | B | -1.2064 | |
| 243 | V | B | 0.0000 | |
| 244 | L | B | 0.0000 | |
| 245 | H | B | 0.0000 | |
| 246 | S | B | -0.5444 | |
| 247 | S | B | -0.3512 | |
| 248 | V | B | 0.0000 | |
| 249 | C | B | 0.0000 | |
| 250 | S | B | -0.1953 | |
| 251 | T | B | 0.1385 | |
| 252 | L | B | 0.0208 | |
| 253 | G | B | -1.0500 | |
| 254 | D | B | -2.0287 | |
| 255 | D | B | -2.8387 | |
| 256 | S | B | -2.2360 | |
| 257 | V | B | 0.0000 | |
| 258 | E | B | -1.0604 | |
| 259 | L | B | 0.0000 | |
| 260 | L | B | 0.0000 | |
| 261 | C | B | 0.0000 | |
| 262 | V | B | 0.0000 | |
| 263 | I | B | 0.0000 | |
| 264 | T | B | -0.9187 | |
| 265 | G | B | -1.1005 | |
| 266 | F | B | 0.0000 | |
| 267 | S | B | 0.0000 | |
| 268 | P | B | -0.9308 | |
| 269 | P | B | 0.0000 | |
| 270 | P | B | -0.8845 | |
| 271 | V | B | -1.2336 | |
| 272 | E | B | -2.3018 | |
| 273 | V | B | -1.3994 | |
| 274 | E | B | -1.8675 | |
| 275 | W | B | 0.0000 | |
| 276 | L | B | 0.0000 | |
| 277 | V | B | -1.1863 | |
| 278 | D | B | -2.1755 | |
| 279 | G | B | -1.4910 | |
| 280 | A | B | -0.8434 | |
| 281 | P | B | -0.9641 | |
| 282 | A | B | -0.6248 | |
| 283 | H | B | -0.5193 | |
| 284 | L | B | 0.3220 | |
| 285 | V | B | 1.4439 | |
| 286 | A | B | 0.4606 | |
| 287 | T | B | 0.1052 | |
| 288 | M | B | 0.1102 | |
| 289 | T | B | -0.8750 | |
| 290 | R | B | -2.0448 | |
| 291 | P | B | -1.4033 | |
| 292 | Q | B | -1.7279 | |
| 293 | R | B | -2.1728 | |
| 294 | E | B | -1.6758 | |
| 295 | A | B | -1.1944 | |
| 296 | G | B | -1.0797 | |
| 297 | S | B | -1.4755 | |
| 298 | K | B | -2.4088 | |
| 299 | T | B | -1.5202 | |
| 300 | Y | B | 0.0000 | |
| 301 | M | B | -0.8675 | |
| 302 | A | B | 0.0000 | |
| 303 | T | B | 0.0000 | |
| 304 | S | B | 0.0000 | |
| 305 | Q | B | -0.4228 | |
| 306 | T | B | 0.0000 | |
| 307 | N | B | -1.3349 | |
| 308 | V | B | 0.0000 | |
| 309 | S | B | -2.1308 | |
| 310 | R | B | -2.6309 | |
| 311 | E | B | -3.0805 | |
| 312 | D | B | -2.3212 | |
| 313 | W | B | 0.0000 | |
| 314 | K | B | -2.1163 | |
| 315 | A | B | -1.6185 | |
| 316 | G | B | -1.5516 | |
| 317 | K | B | -1.9717 | |
| 318 | A | B | -1.5777 | |
| 319 | F | B | 0.0000 | |
| 320 | T | B | 0.0000 | |
| 321 | C | B | 0.0000 | |
| 322 | R | B | -1.9642 | |
| 323 | V | B | 0.0000 | |
| 324 | K | B | -2.1907 | |
| 325 | H | B | 0.0000 | |
| 326 | P | B | -0.9839 | |
| 327 | A | B | -1.0021 | |
| 328 | T | B | -0.8044 | |
| 329 | G | B | -0.8488 | |
| 330 | G | B | -0.7597 | |
| 331 | T | B | -1.3809 | |
| 332 | A | B | -1.3412 | |
| 333 | Q | B | -1.9134 | |
| 334 | G | B | 0.0000 | |
| 335 | H | B | -1.5519 | |
| 336 | A | B | 0.0000 | |
| 337 | R | B | -1.5950 | |
| 338 | F | B | -0.9144 | |
| 339 | C | B | -0.6429 | |
| 340 | P | B | -1.0967 | |
| 341 | E | B | -1.4332 | |
| 342 | F | B | -0.2501 | |
| 1 | M | C | 1.3953 | |
| 2 | A | C | 1.1283 | |
| 3 | W | C | 1.6612 | |
| 4 | A | C | 1.2747 | |
| 5 | P | C | 1.5150 | |
| 6 | L | C | 2.8289 | |
| 7 | L | C | 3.2548 | |
| 8 | L | C | 3.5202 | |
| 9 | A | C | 2.8217 | |
| 10 | V | C | 3.1200 | |
| 11 | L | C | 2.3730 | |
| 12 | A | C | 0.8409 | |
| 13 | H | C | -0.4063 | |
| 14 | T | C | -0.6125 | |
| 15 | S | C | -0.5845 | |
| 16 | G | C | -0.4148 | |
| 17 | S | C | 0.3632 | |
| 18 | L | C | 1.5562 | |
| 19 | V | C | 1.5363 | |
| 20 | Q | C | 0.1665 | |
| 21 | A | C | 0.1105 | |
| 22 | A | C | -0.1942 | |
| 23 | L | C | 0.0000 | |
| 24 | T | C | -0.4040 | |
| 25 | Q | C | -0.2836 | |
| 26 | P | C | -0.3280 | |
| 27 | A | C | -0.1928 | |
| 28 | S | C | -0.5371 | |
| 29 | K | C | -0.9829 | |
| 30 | S | C | -0.6934 | |
| 31 | V | C | 0.0000 | |
| 32 | N | C | -1.7416 | |
| 33 | P | C | -1.6730 | |
| 34 | G | C | -1.6486 | |
| 35 | D | C | -1.9700 | |
| 36 | T | C | -1.3411 | |
| 37 | V | C | 0.0000 | |
| 38 | Q | C | -1.2417 | |
| 39 | I | C | 0.0000 | |
| 40 | T | C | -0.4824 | |
| 41 | C | C | 0.0000 | |
| 42 | S | C | -0.5574 | |
| 43 | G | C | -0.6519 | |
| 44 | S | C | 0.0000 | |
| 45 | S | C | -0.8185 | |
| 46 | S | C | -0.6820 | |
| 47 | D | C | -1.0811 | |
| 48 | Y | C | 0.0000 | |
| 49 | G | C | 0.0000 | |
| 50 | W | C | 0.0000 | |
| 51 | F | C | 0.0000 | |
| 52 | Q | C | 0.0000 | |
| 53 | Q | C | 0.0000 | |
| 54 | K | C | -1.7281 | |
| 55 | T | C | -1.1159 | |
| 56 | P | C | -1.1144 | |
| 57 | G | C | -1.2465 | |
| 58 | S | C | -0.7877 | |
| 59 | A | C | -0.4890 | |
| 60 | P | C | 0.0000 | |
| 61 | V | C | 0.8301 | |
| 62 | T | C | 0.0000 | |
| 63 | V | C | 0.0000 | |
| 64 | I | C | 0.0000 | |
| 65 | Y | C | -1.1216 | |
| 66 | Q | C | -1.3540 | |
| 67 | N | C | -1.6835 | |
| 68 | N | C | -2.4283 | |
| 69 | K | C | -2.3388 | |
| 70 | R | C | -2.2323 | |
| 71 | P | C | -1.0298 | |
| 72 | S | C | -0.8470 | |
| 73 | G | C | -0.6979 | |
| 74 | I | C | -0.3895 | |
| 75 | P | C | -0.5597 | |
| 76 | S | C | -0.7054 | |
| 77 | R | C | -0.5967 | |
| 78 | F | C | 0.0000 | |
| 79 | S | C | -1.2437 | |
| 80 | G | C | -1.4745 | |
| 81 | S | C | -1.2497 | |
| 82 | K | C | -1.2994 | |
| 83 | S | C | -0.8176 | |
| 84 | G | C | -0.8216 | |
| 85 | S | C | -0.8335 | |
| 86 | T | C | -0.7547 | |
| 87 | A | C | 0.0000 | |
| 88 | T | C | -0.7859 | |
| 89 | L | C | 0.0000 | |
| 90 | T | C | -0.6643 | |
| 91 | I | C | 0.0000 | |
| 92 | T | C | -0.9462 | |
| 93 | G | C | -1.2136 | |
| 94 | V | C | 0.0000 | |
| 95 | Q | C | -1.6892 | |
| 96 | A | C | -1.3517 | |
| 97 | E | C | -2.2300 | |
| 98 | D | C | 0.0000 | |
| 99 | E | C | 0.0000 | |
| 100 | A | C | 0.0000 | |
| 101 | V | C | -0.1102 | |
| 102 | Y | C | 0.0000 | |
| 103 | Y | C | 0.0000 | |
| 104 | C | C | 0.0000 | |
| 105 | G | C | 0.0000 | |
| 106 | S | C | 0.0000 | |
| 107 | Y | C | 0.1614 | |
| 108 | D | C | -0.3567 | |
| 109 | S | C | -0.2189 | |
| 110 | S | C | 0.1579 | |
| 111 | Y | C | 0.9959 | |
| 112 | V | C | 0.7028 | |
| 113 | G | C | 0.0000 | |
| 114 | V | C | 0.0841 | |
| 115 | F | C | 0.0000 | |
| 116 | G | C | 0.0000 | |
| 117 | A | C | -0.2041 | |
| 118 | G | C | 0.0000 | |
| 119 | T | C | 0.0000 | |
| 120 | T | C | -0.2965 | |
| 121 | L | C | 0.0000 | |
| 122 | T | C | -0.3112 | |
| 123 | V | C | 0.0000 | |
| 124 | L | C | -0.4259 | |
| 125 | G | C | -0.7870 | |
| 126 | Q | C | -0.8678 | |
| 127 | P | C | -0.6510 | |
| 128 | K | C | -1.4593 | |
| 129 | V | C | -0.5955 | |
| 130 | S | C | -0.4739 | |
| 131 | P | C | 0.0000 | |
| 132 | T | C | -0.2361 | |
| 133 | V | C | -0.5060 | |
| 134 | H | C | -0.5667 | |
| 135 | V | C | 0.0000 | |
| 136 | F | C | 0.0000 | |
| 137 | P | C | -0.3719 | |
| 138 | P | C | 0.0000 | |
| 139 | S | C | -1.3575 | |
| 140 | D | C | -3.0828 | |
| 141 | E | C | -2.5711 | |
| 142 | E | C | 0.0000 | |
| 143 | I | C | -2.1323 | |
| 144 | S | C | -1.8786 | |
| 145 | S | C | -1.7601 | |
| 146 | Q | C | -2.2293 | |
| 147 | N | C | -2.6094 | |
| 148 | K | C | -2.5360 | |
| 149 | A | C | 0.0000 | |
| 150 | T | C | 0.0000 | |
| 151 | L | C | 0.0000 | |
| 152 | V | C | 0.0000 | |
| 153 | C | C | 0.0000 | |
| 154 | L | C | 0.0000 | |
| 155 | M | C | 0.0000 | |
| 156 | S | C | 0.0000 | |
| 157 | D | C | -0.4779 | |
| 158 | F | C | 0.0000 | |
| 159 | Y | C | 0.0000 | |
| 160 | P | C | -0.7002 | |
| 161 | S | C | -0.6299 | |
| 162 | P | C | -0.5125 | |
| 163 | V | C | -0.3656 | |
| 164 | T | C | -0.2869 | |
| 165 | V | C | -0.0484 | |
| 166 | T | C | -0.3870 | |
| 167 | W | C | 0.0000 | |
| 168 | K | C | -1.1845 | |
| 169 | V | C | -1.2598 | |
| 170 | N | C | -2.0463 | |
| 171 | G | C | -1.4112 | |
| 172 | S | C | -1.0292 | |
| 173 | T | C | -0.8625 | |
| 174 | R | C | -0.8790 | |
| 175 | S | C | -0.6135 | |
| 176 | S | C | -0.4954 | |
| 177 | G | C | -0.3933 | |
| 178 | V | C | -0.1413 | |
| 179 | E | C | -0.6388 | |
| 180 | T | C | -0.3918 | |
| 181 | S | C | 0.0000 | |
| 182 | A | C | -0.4575 | |
| 183 | S | C | -0.3872 | |
| 184 | Q | C | -0.6438 | |
| 185 | R | C | -1.0091 | |
| 186 | Q | C | -0.9433 | |
| 187 | S | C | -0.8897 | |
| 188 | N | C | -1.2547 | |
| 189 | S | C | -1.1812 | |
| 190 | K | C | -1.0138 | |
| 191 | Y | C | -0.5915 | |
| 192 | M | C | 0.0000 | |
| 193 | A | C | 0.0000 | |
| 194 | S | C | 0.0000 | |
| 195 | S | C | 0.0000 | |
| 196 | Y | C | 0.0000 | |
| 197 | L | C | 0.0000 | |
| 198 | T | C | -0.4786 | |
| 199 | L | C | 0.0000 | |
| 200 | S | C | -1.6261 | |
| 201 | A | C | 0.0000 | |
| 202 | S | C | -1.7434 | |
| 203 | E | C | -1.9183 | |
| 204 | W | C | 0.0000 | |
| 205 | K | C | -2.5256 | |
| 206 | G | C | -2.1241 | |
| 207 | A | C | 0.0000 | |
| 208 | N | C | -2.4225 | |
| 209 | S | C | -1.6175 | |
| 210 | V | C | 0.0000 | |
| 211 | V | C | -0.9766 | |
| 212 | C | C | 0.0000 | |
| 213 | Q | C | -1.0114 | |
| 214 | V | C | 0.0000 | |
| 215 | T | C | -0.8688 | |
| 216 | H | C | 0.0000 | |
| 217 | D | C | -2.2450 | |
| 218 | G | C | -1.3553 | |
| 219 | T | C | -0.8451 | |
| 220 | P | C | -0.9246 | |
| 221 | I | C | -0.8049 | |
| 222 | E | C | -1.9842 | |
| 223 | K | C | -1.3676 | |
| 224 | T | C | -0.8821 | |
| 225 | L | C | 0.0000 | |
| 226 | N | C | -1.5095 | |
| 227 | K | C | -1.7156 | |
| 228 | S | C | -1.2699 | |
| 229 | E | C | -1.3496 | |
| 230 | C | C | -0.9787 | |
| 1 | M | D | 1.3982 | |
| 2 | A | D | 1.1290 | |
| 3 | W | D | 1.6686 | |
| 4 | A | D | 1.2842 | |
| 5 | P | D | 1.5273 | |
| 6 | L | D | 2.8336 | |
| 7 | L | D | 3.2582 | |
| 8 | L | D | 3.5346 | |
| 9 | A | D | 2.8330 | |
| 10 | V | D | 3.1303 | |
| 11 | L | D | 2.3793 | |
| 12 | A | D | 0.8386 | |
| 13 | H | D | -0.4005 | |
| 14 | T | D | -0.6112 | |
| 15 | S | D | -0.5809 | |
| 16 | G | D | -0.4214 | |
| 17 | S | D | 0.3699 | |
| 18 | L | D | 1.5374 | |
| 19 | V | D | 1.5277 | |
| 20 | Q | D | 0.1657 | |
| 21 | A | D | 0.1136 | |
| 22 | A | D | -0.1874 | |
| 23 | L | D | 0.0000 | |
| 24 | T | D | -0.4064 | |
| 25 | Q | D | -0.2857 | |
| 26 | P | D | -0.3320 | |
| 27 | A | D | -0.2013 | |
| 28 | S | D | -0.5535 | |
| 29 | K | D | -0.9990 | |
| 30 | S | D | -0.6790 | |
| 31 | V | D | 0.0000 | |
| 32 | N | D | -1.6405 | |
| 33 | P | D | -1.6115 | |
| 34 | G | D | -1.6147 | |
| 35 | D | D | -1.9153 | |
| 36 | T | D | -1.2359 | |
| 37 | V | D | 0.0000 | |
| 38 | Q | D | -1.1737 | |
| 39 | I | D | 0.0000 | |
| 40 | T | D | -0.4768 | |
| 41 | C | D | 0.0000 | |
| 42 | S | D | -0.5705 | |
| 43 | G | D | -0.6555 | |
| 44 | S | D | 0.0000 | |
| 45 | S | D | -0.8140 | |
| 46 | S | D | -0.7010 | |
| 47 | D | D | -1.0615 | |
| 48 | Y | D | 0.0000 | |
| 49 | G | D | 0.0000 | |
| 50 | W | D | 0.0000 | |
| 51 | F | D | 0.0000 | |
| 52 | Q | D | 0.0000 | |
| 53 | Q | D | 0.0000 | |
| 54 | K | D | -1.7686 | |
| 55 | T | D | -1.1507 | |
| 56 | P | D | -1.1333 | |
| 57 | G | D | -1.2636 | |
| 58 | S | D | -0.7974 | |
| 59 | A | D | -0.4943 | |
| 60 | P | D | 0.0000 | |
| 61 | V | D | 0.8379 | |
| 62 | T | D | 0.0000 | |
| 63 | V | D | 0.0000 | |
| 64 | I | D | 0.0000 | |
| 65 | Y | D | -1.1041 | |
| 66 | Q | D | -1.3505 | |
| 67 | N | D | -1.6913 | |
| 68 | N | D | -2.4258 | |
| 69 | K | D | -2.3167 | |
| 70 | R | D | -2.1558 | |
| 71 | P | D | -0.9890 | |
| 72 | S | D | -0.8256 | |
| 73 | G | D | -0.6831 | |
| 74 | I | D | -0.3674 | |
| 75 | P | D | -0.5410 | |
| 76 | S | D | -0.6849 | |
| 77 | R | D | -0.5953 | |
| 78 | F | D | 0.0000 | |
| 79 | S | D | -1.2164 | |
| 80 | G | D | -1.4658 | |
| 81 | S | D | -1.2734 | |
| 82 | K | D | -1.3478 | |
| 83 | S | D | -0.8414 | |
| 84 | G | D | -0.8295 | |
| 85 | S | D | -0.8304 | |
| 86 | T | D | -0.7660 | |
| 87 | A | D | 0.0000 | |
| 88 | T | D | -0.7860 | |
| 89 | L | D | 0.0000 | |
| 90 | T | D | -0.6317 | |
| 91 | I | D | 0.0000 | |
| 92 | T | D | -0.9237 | |
| 93 | G | D | -1.2020 | |
| 94 | V | D | 0.0000 | |
| 95 | Q | D | -1.6832 | |
| 96 | A | D | -1.3410 | |
| 97 | E | D | -2.2577 | |
| 98 | D | D | 0.0000 | |
| 99 | E | D | 0.0000 | |
| 100 | A | D | 0.0000 | |
| 101 | V | D | -0.1551 | |
| 102 | Y | D | 0.0000 | |
| 103 | Y | D | 0.0000 | |
| 104 | C | D | 0.0000 | |
| 105 | G | D | 0.0000 | |
| 106 | S | D | 0.0000 | |
| 107 | Y | D | 0.0791 | |
| 108 | D | D | -0.4129 | |
| 109 | S | D | -0.3086 | |
| 110 | S | D | 0.0226 | |
| 111 | Y | D | 0.7195 | |
| 112 | V | D | 0.5665 | |
| 113 | G | D | 0.0000 | |
| 114 | V | D | 0.0559 | |
| 115 | F | D | 0.0000 | |
| 116 | G | D | 0.0000 | |
| 117 | A | D | -0.2421 | |
| 118 | G | D | 0.0000 | |
| 119 | T | D | 0.0000 | |
| 120 | T | D | -0.3259 | |
| 121 | L | D | 0.0000 | |
| 122 | T | D | -0.3051 | |
| 123 | V | D | 0.0000 | |
| 124 | L | D | -0.3544 | |
| 125 | G | D | -0.8332 | |
| 126 | Q | D | -0.7976 | |
| 127 | P | D | -0.8482 | |
| 128 | K | D | -1.6795 | |
| 129 | V | D | -0.6177 | |
| 130 | S | D | -0.5825 | |
| 131 | P | D | 0.0000 | |
| 132 | T | D | -0.3094 | |
| 133 | V | D | 0.0000 | |
| 134 | H | D | 0.0000 | |
| 135 | V | D | 0.0000 | |
| 136 | F | D | 0.0000 | |
| 137 | P | D | -0.3594 | |
| 138 | P | D | 0.0000 | |
| 139 | S | D | -1.2743 | |
| 140 | D | D | -2.8772 | |
| 141 | E | D | -2.3647 | |
| 142 | E | D | 0.0000 | |
| 143 | I | D | -2.0732 | |
| 144 | S | D | -1.8333 | |
| 145 | S | D | -1.7446 | |
| 146 | Q | D | -2.2808 | |
| 147 | N | D | -2.6045 | |
| 148 | K | D | -2.4882 | |
| 149 | A | D | 0.0000 | |
| 150 | T | D | 0.0000 | |
| 151 | L | D | 0.0000 | |
| 152 | V | D | 0.0000 | |
| 153 | C | D | 0.0000 | |
| 154 | L | D | 0.0000 | |
| 155 | M | D | 0.0000 | |
| 156 | S | D | 0.0000 | |
| 157 | D | D | -0.4804 | |
| 158 | F | D | 0.0000 | |
| 159 | Y | D | 0.0000 | |
| 160 | P | D | -0.7538 | |
| 161 | S | D | -0.6740 | |
| 162 | P | D | -0.4959 | |
| 163 | V | D | -0.3758 | |
| 164 | T | D | -0.2649 | |
| 165 | V | D | 0.0167 | |
| 166 | T | D | -0.3361 | |
| 167 | W | D | 0.0000 | |
| 168 | K | D | -1.1011 | |
| 169 | V | D | -1.2240 | |
| 170 | N | D | -2.0228 | |
| 171 | G | D | -1.3859 | |
| 172 | S | D | -1.0025 | |
| 173 | T | D | -0.8288 | |
| 174 | R | D | -0.8604 | |
| 175 | S | D | -0.6064 | |
| 176 | S | D | -0.5010 | |
| 177 | G | D | -0.4029 | |
| 178 | V | D | -0.1337 | |
| 179 | E | D | -0.6029 | |
| 180 | T | D | -0.3545 | |
| 181 | S | D | 0.0000 | |
| 182 | A | D | -0.4608 | |
| 183 | S | D | -0.4107 | |
| 184 | Q | D | -0.6586 | |
| 185 | R | D | -1.0120 | |
| 186 | Q | D | 0.0000 | |
| 187 | S | D | -0.8173 | |
| 188 | N | D | -1.1093 | |
| 189 | S | D | -0.9359 | |
| 190 | K | D | -0.9867 | |
| 191 | Y | D | -0.5669 | |
| 192 | M | D | 0.0000 | |
| 193 | A | D | 0.0000 | |
| 194 | S | D | 0.0000 | |
| 195 | S | D | 0.0000 | |
| 196 | Y | D | 0.0000 | |
| 197 | L | D | 0.0000 | |
| 198 | T | D | -0.4743 | |
| 199 | L | D | 0.0000 | |
| 200 | S | D | -1.6377 | |
| 201 | A | D | 0.0000 | |
| 202 | S | D | -1.7479 | |
| 203 | E | D | -1.8100 | |
| 204 | W | D | 0.0000 | |
| 205 | K | D | -2.5397 | |
| 206 | G | D | -2.1345 | |
| 207 | A | D | 0.0000 | |
| 208 | N | D | -2.3431 | |
| 209 | S | D | -1.6053 | |
| 210 | V | D | 0.0000 | |
| 211 | V | D | -0.9552 | |
| 212 | C | D | 0.0000 | |
| 213 | Q | D | -0.9631 | |
| 214 | V | D | 0.0000 | |
| 215 | T | D | -0.8476 | |
| 216 | H | D | 0.0000 | |
| 217 | D | D | -2.2838 | |
| 218 | G | D | -1.3579 | |
| 219 | T | D | -0.8552 | |
| 220 | P | D | -0.8987 | |
| 221 | I | D | -0.7758 | |
| 222 | E | D | -1.8963 | |
| 223 | K | D | -1.3219 | |
| 224 | T | D | -0.8600 | |
| 225 | L | D | 0.0000 | |
| 226 | N | D | -1.5147 | |
| 227 | K | D | -1.7019 | |
| 228 | S | D | -1.2544 | |
| 229 | E | D | -1.2657 | |
| 230 | C | D | -0.9970 |
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 | -0.3535 | 5.2524 | View | CSV | PDB |
| 4.5 | -0.3855 | 5.2524 | View | CSV | PDB |
| 5.0 | -0.4245 | 5.2524 | View | CSV | PDB |
| 5.5 | -0.4625 | 5.2524 | View | CSV | PDB |
| 6.0 | -0.4917 | 5.2524 | View | CSV | PDB |
| 6.5 | -0.506 | 5.2524 | View | CSV | PDB |
| 7.0 | -0.5055 | 5.2524 | View | CSV | PDB |
| 7.5 | -0.496 | 5.2524 | View | CSV | PDB |
| 8.0 | -0.482 | 5.2524 | View | CSV | PDB |
| 8.5 | -0.4647 | 5.2524 | View | CSV | PDB |
| 9.0 | -0.4436 | 5.2524 | 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