| Chain sequence(s) |
A: MSSFVPNKEQTRTVLIFCFHLKKTAAESHRMLVEAFGEQVPTVKKCERWFQRFKSGDFDVDDKEHGKPPKRYEDAELQALLDEDDAQTQKQLAEQLEVSQQAVSNRLREMGKIQKVGRWVPHELNERQMERRKNTCEILLSRYKRKSFLHRIVTGDEKWIFFVSPKRKKSYVDPGQPATSTARPNRFGKKTMLCVWWDQSGVIYYELLKRGETVNTARYQQQLINLNRALQRKRPEYQKRQHRVIFLHDNAPSHTARAVRDTLETLNWEVLPHAAYSPDLAPSDYHLFASMGHALAEQRFDSYESVKKWLDEWFAAKDDEFYWRGIHKLPERWEKCVASDGKYLE
C: MSSFVPNKEQTRTVLIFCFHLKKTAAESHRMLVEAFGEQVPTVKKCERWFQRFKSGDFDVDDKEHGKPPKRYEDAELQALLDEDDAQTQKQLAEQLEVSQQAVSNRLREMGKIQKVGRWVPHELNERQMERRKNTCEILLSRYKRKSFLHRIVTGDEKWIFFVSPKRKKSYVDPGQPATSTARPNRFGKKTMLCVWWDQSGVIYYELLKRGETVNTARYQQQLINLNRALQRKRPEYQKRQHRVIFLHDNAPSHTARAVRDTLETLNWEVLPHAAYSPDLAPSDYHLFASMGHALAEQRFDSYESVKKWLDEWFAAKDDEFYWRGIHKLPERWEKCVASDGKYLE B: MSSFVPNKEQTRTVLIFCFHLKKTAAESHRMLVEAFGEQVPTVKKCERWFQRFKSGDFDVDDKEHGKPPKRYEDAELQALLDEDDAQTQKQLAEQLEVSQQAVSNRLREMGKIQKVGRWVPHELNERQMERRKNTCEILLSRYKRKSFLHRIVTGDEKWIFFVSPKRKKSYVDPGQPATSTARPNRFGKKTMLCVWWDQSGVIYYELLKRGETVNTARYQQQLINLNRALQRKRPEYQKRQHRVIFLHDNAPSHTARAVRDTLETLNWEVLPHAAYSPDLAPSDYHLFASMGHALAEQRFDSYESVKKWLDEWFAAKDDEFYWRGIHKLPERWEKCVASDGKYLE D: MSSFVPNKEQTRTVLIFCFHLKKTAAESHRMLVEAFGEQVPTVKKCERWFQRFKSGDFDVDDKEHGKPPKRYEDAELQALLDEDDAQTQKQLAEQLEVSQQAVSNRLREMGKIQKVGRWVPHELNERQMERRKNTCEILLSRYKRKSFLHRIVTGDEKWIFFVSPKRKKSYVDPGQPATSTARPNRFGKKTMLCVWWDQSGVIYYELLKRGETVNTARYQQQLINLNRALQRKRPEYQKRQHRVIFLHDNAPSHTARAVRDTLETLNWEVLPHAAYSPDLAPSDYHLFASMGHALAEQRFDSYESVKKWLDEWFAAKDDEFYWRGIHKLPERWEKCVASDGKYLE input PDB |
| Selected Chain(s) | A,C,B,D |
| Distance of aggregation | 5 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:47:57)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b502912b43c5e33/tmp/folded.pdb (00:47:57)
[INFO] Main: Simulation completed successfully. (01:01:20)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 1.0404 | |
| 2 | S | A | 0.0843 | |
| 3 | S | A | -0.1812 | |
| 4 | F | A | 0.5309 | |
| 5 | V | A | 1.8176 | |
| 6 | P | A | 0.0000 | |
| 7 | N | A | -0.9203 | |
| 8 | K | A | -2.1070 | |
| 9 | E | A | -1.9690 | |
| 10 | Q | A | -0.4191 | |
| 11 | T | A | 0.0000 | |
| 12 | R | A | -0.1983 | |
| 13 | T | A | 0.0000 | |
| 14 | V | A | 0.0000 | |
| 15 | L | A | 0.0000 | |
| 16 | I | A | 0.0000 | |
| 17 | F | A | 0.0000 | |
| 18 | C | A | 0.0000 | |
| 19 | F | A | 0.3496 | |
| 20 | H | A | 0.0000 | |
| 21 | L | A | -0.1468 | |
| 22 | K | A | -1.7983 | |
| 23 | K | A | -1.0137 | |
| 24 | T | A | -0.1944 | |
| 25 | A | A | 0.0000 | |
| 26 | A | A | -0.1890 | |
| 27 | E | A | -1.3403 | |
| 28 | S | A | 0.0000 | |
| 29 | H | A | -0.4680 | |
| 30 | R | A | -1.9540 | |
| 31 | M | A | -0.3421 | |
| 32 | L | A | 0.0000 | |
| 33 | V | A | 0.3593 | |
| 34 | E | A | -1.6771 | |
| 35 | A | A | 0.0000 | |
| 36 | F | A | 0.0000 | |
| 37 | G | A | -0.2940 | |
| 38 | E | A | -2.0426 | |
| 39 | Q | A | -1.4851 | |
| 40 | V | A | -0.0202 | |
| 41 | P | A | -0.0136 | |
| 42 | T | A | 0.0343 | |
| 43 | V | A | 0.3018 | |
| 44 | K | A | -1.7210 | |
| 45 | K | A | -1.0506 | |
| 46 | C | A | 0.0000 | |
| 47 | E | A | -2.1528 | |
| 48 | R | A | -2.1727 | |
| 49 | W | A | 0.0000 | |
| 50 | F | A | 0.0000 | |
| 51 | Q | A | -1.3093 | |
| 52 | R | A | -0.8287 | |
| 53 | F | A | 0.0000 | |
| 54 | K | A | -1.7385 | |
| 55 | S | A | -0.6033 | |
| 56 | G | A | -0.5855 | |
| 57 | D | A | -0.4882 | |
| 58 | F | A | -0.1441 | |
| 59 | D | A | -1.7063 | |
| 60 | V | A | -0.4624 | |
| 61 | D | A | -1.9544 | |
| 62 | D | A | -1.7172 | |
| 63 | K | A | -2.2307 | |
| 64 | E | A | -2.2326 | |
| 65 | H | A | -0.8839 | |
| 66 | G | A | -0.5906 | |
| 67 | K | A | -1.7281 | |
| 68 | P | A | -0.4404 | |
| 69 | P | A | -0.4936 | |
| 70 | K | A | -2.0472 | |
| 71 | R | A | -2.1493 | |
| 72 | Y | A | 0.0000 | |
| 73 | E | A | -1.6150 | |
| 74 | D | A | -1.2145 | |
| 75 | A | A | -0.4229 | |
| 76 | E | A | -1.4671 | |
| 77 | L | A | 0.0000 | |
| 78 | Q | A | -0.3902 | |
| 79 | A | A | -0.1771 | |
| 80 | L | A | 0.2194 | |
| 81 | L | A | 0.0000 | |
| 82 | D | A | -2.1118 | |
| 83 | E | A | -2.3094 | |
| 84 | D | A | -1.3198 | |
| 85 | D | A | -0.4528 | |
| 86 | A | A | -0.0756 | |
| 87 | Q | A | -0.2012 | |
| 88 | T | A | -0.1499 | |
| 89 | Q | A | -0.5543 | |
| 90 | K | A | -1.6915 | |
| 91 | Q | A | -1.4549 | |
| 92 | L | A | 0.0000 | |
| 93 | A | A | 0.0000 | |
| 94 | E | A | -2.0342 | |
| 95 | Q | A | -1.4935 | |
| 96 | L | A | -0.3689 | |
| 97 | E | A | -1.7447 | |
| 98 | V | A | -0.0862 | |
| 99 | S | A | -0.1615 | |
| 100 | Q | A | -1.0548 | |
| 101 | Q | A | -1.3441 | |
| 102 | A | A | -0.1955 | |
| 103 | V | A | 0.0000 | |
| 104 | S | A | 0.0000 | |
| 105 | N | A | -0.9373 | |
| 106 | R | A | -0.5406 | |
| 107 | L | A | 0.0000 | |
| 108 | R | A | -2.1723 | |
| 109 | E | A | -2.1369 | |
| 110 | M | A | -0.1769 | |
| 111 | G | A | -0.2515 | |
| 112 | K | A | -0.0956 | |
| 113 | I | A | 0.8717 | |
| 114 | Q | A | -0.8167 | |
| 115 | K | A | -0.6948 | |
| 116 | V | A | 0.6174 | |
| 117 | G | A | 0.0000 | |
| 118 | R | A | -1.8082 | |
| 119 | W | A | -0.0318 | |
| 120 | V | A | 0.2353 | |
| 121 | P | A | -0.0415 | |
| 122 | H | A | -0.5462 | |
| 123 | E | A | -1.8579 | |
| 124 | L | A | 0.0000 | |
| 125 | N | A | -1.2294 | |
| 126 | E | A | -2.3177 | |
| 127 | R | A | -2.2152 | |
| 128 | Q | A | -0.5103 | |
| 129 | M | A | -0.1206 | |
| 130 | E | A | -1.9494 | |
| 131 | R | A | -1.6422 | |
| 132 | R | A | 0.0000 | |
| 133 | K | A | -0.4482 | |
| 134 | N | A | -0.4884 | |
| 135 | T | A | 0.0000 | |
| 136 | C | A | 0.0000 | |
| 137 | E | A | -1.0203 | |
| 138 | I | A | 1.7133 | |
| 139 | L | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | S | A | -0.1172 | |
| 142 | R | A | -0.2831 | |
| 143 | Y | A | 0.0393 | |
| 144 | K | A | -1.9536 | |
| 145 | R | A | -2.4580 | |
| 146 | K | A | -2.0703 | |
| 147 | S | A | -0.4531 | |
| 148 | F | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | H | A | -0.7509 | |
| 151 | R | A | -0.4588 | |
| 152 | I | A | 0.0000 | |
| 153 | V | A | 0.0000 | |
| 154 | T | A | 0.0000 | |
| 155 | G | A | 0.0000 | |
| 156 | D | A | -0.3380 | |
| 157 | E | A | -0.4882 | |
| 158 | K | A | -0.4428 | |
| 159 | W | A | 0.2322 | |
| 160 | I | A | 0.0000 | |
| 161 | F | A | 0.5368 | |
| 162 | F | A | 0.0000 | |
| 163 | V | A | 0.4808 | |
| 164 | S | A | 0.0582 | |
| 165 | P | A | -0.3373 | |
| 166 | K | A | -1.8201 | |
| 167 | R | A | -1.8688 | |
| 168 | K | A | -1.0381 | |
| 169 | K | A | -1.2372 | |
| 170 | S | A | 0.0000 | |
| 171 | Y | A | 0.0000 | |
| 172 | V | A | 0.0000 | |
| 173 | D | A | -0.6971 | |
| 174 | P | A | -0.4568 | |
| 175 | G | A | -0.6652 | |
| 176 | Q | A | -0.9754 | |
| 177 | P | A | -0.4063 | |
| 178 | A | A | -0.0446 | |
| 179 | T | A | -0.0422 | |
| 180 | S | A | -0.3084 | |
| 181 | T | A | -0.0241 | |
| 182 | A | A | -0.2251 | |
| 183 | R | A | -1.3306 | |
| 184 | P | A | -0.5263 | |
| 185 | N | A | -1.1928 | |
| 186 | R | A | -1.6416 | |
| 187 | F | A | 1.5923 | |
| 188 | G | A | -0.1331 | |
| 189 | K | A | -1.7966 | |
| 190 | K | A | -0.6670 | |
| 191 | T | A | 0.0000 | |
| 192 | M | A | 0.1405 | |
| 193 | L | A | 0.0000 | |
| 194 | C | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | W | A | 0.0000 | |
| 197 | W | A | 0.0000 | |
| 198 | D | A | 0.0000 | |
| 199 | Q | A | -0.1798 | |
| 200 | S | A | -0.1864 | |
| 201 | G | A | 0.0000 | |
| 202 | V | A | 0.2448 | |
| 203 | I | A | 0.0000 | |
| 204 | Y | A | 0.3160 | |
| 205 | Y | A | 0.2319 | |
| 206 | E | A | -0.2447 | |
| 207 | L | A | 0.0000 | |
| 208 | L | A | 0.0000 | |
| 209 | K | A | -2.0349 | |
| 210 | R | A | -2.2377 | |
| 211 | G | A | -0.9105 | |
| 212 | E | A | -0.6999 | |
| 213 | T | A | -0.1441 | |
| 214 | V | A | -0.0466 | |
| 215 | N | A | -1.2423 | |
| 216 | T | A | -0.2575 | |
| 217 | A | A | -0.0487 | |
| 218 | R | A | -0.5487 | |
| 219 | Y | A | 0.0000 | |
| 220 | Q | A | -0.5042 | |
| 221 | Q | A | -1.1915 | |
| 222 | Q | A | 0.0000 | |
| 223 | L | A | 0.0000 | |
| 224 | I | A | 0.6323 | |
| 225 | N | A | -0.0900 | |
| 226 | L | A | 0.0000 | |
| 227 | N | A | -0.3765 | |
| 228 | R | A | -1.1830 | |
| 229 | A | A | -0.2032 | |
| 230 | L | A | 0.0000 | |
| 231 | Q | A | -0.7435 | |
| 232 | R | A | -2.1680 | |
| 233 | K | A | -1.9009 | |
| 234 | R | A | -0.5263 | |
| 235 | P | A | -0.3334 | |
| 236 | E | A | -0.6551 | |
| 237 | Y | A | 0.0000 | |
| 238 | Q | A | -1.5357 | |
| 239 | K | A | -2.2419 | |
| 240 | R | A | -2.3609 | |
| 241 | Q | A | -1.6047 | |
| 242 | H | A | -0.9011 | |
| 243 | R | A | -1.6020 | |
| 244 | V | A | 0.0000 | |
| 245 | I | A | 0.0000 | |
| 246 | F | A | 0.0000 | |
| 247 | L | A | 0.0000 | |
| 248 | H | A | 0.0000 | |
| 249 | D | A | -0.8526 | |
| 250 | N | A | -0.8254 | |
| 251 | A | A | -0.1600 | |
| 252 | P | A | -0.2572 | |
| 253 | S | A | -0.0731 | |
| 254 | H | A | 0.0000 | |
| 255 | T | A | -0.0349 | |
| 256 | A | A | -0.3313 | |
| 257 | R | A | -1.8374 | |
| 258 | A | A | -0.3062 | |
| 259 | V | A | 0.0000 | |
| 260 | R | A | -2.0127 | |
| 261 | D | A | -1.2677 | |
| 262 | T | A | -0.1735 | |
| 263 | L | A | 0.0000 | |
| 264 | E | A | -1.9724 | |
| 265 | T | A | -0.3474 | |
| 266 | L | A | 0.0328 | |
| 267 | N | A | -1.4247 | |
| 268 | W | A | 0.0000 | |
| 269 | E | A | -0.2875 | |
| 270 | V | A | 0.8054 | |
| 271 | L | A | 0.0000 | |
| 272 | P | A | -0.1072 | |
| 273 | H | A | -0.1280 | |
| 274 | A | A | 0.0000 | |
| 275 | A | A | 0.2062 | |
| 276 | Y | A | 0.9779 | |
| 277 | S | A | 0.0000 | |
| 278 | P | A | -0.0937 | |
| 279 | D | A | -0.2022 | |
| 280 | L | A | 0.0000 | |
| 281 | A | A | -0.0006 | |
| 282 | P | A | 0.0000 | |
| 283 | S | A | 0.0000 | |
| 284 | D | A | -0.7471 | |
| 285 | Y | A | 0.0052 | |
| 286 | H | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | F | A | 0.0000 | |
| 289 | A | A | 0.0188 | |
| 290 | S | A | -0.0393 | |
| 291 | M | A | 0.0000 | |
| 292 | G | A | -0.4400 | |
| 293 | H | A | -1.0346 | |
| 294 | A | A | -0.1642 | |
| 295 | L | A | 0.0000 | |
| 296 | A | A | -0.3101 | |
| 297 | E | A | -1.8788 | |
| 298 | Q | A | -1.1074 | |
| 299 | R | A | -1.8114 | |
| 300 | F | A | -0.4776 | |
| 301 | D | A | -1.7666 | |
| 302 | S | A | -0.3591 | |
| 303 | Y | A | -0.1797 | |
| 304 | E | A | -1.8010 | |
| 305 | S | A | -0.3857 | |
| 306 | V | A | 0.0000 | |
| 307 | K | A | -1.0174 | |
| 308 | K | A | -1.7956 | |
| 309 | W | A | -0.1255 | |
| 310 | L | A | 0.0000 | |
| 311 | D | A | -1.7077 | |
| 312 | E | A | -2.0478 | |
| 313 | W | A | -0.2081 | |
| 314 | F | A | 0.0000 | |
| 315 | A | A | 0.0690 | |
| 316 | A | A | -0.0005 | |
| 317 | K | A | -0.7057 | |
| 318 | D | A | -2.1830 | |
| 319 | D | A | -2.3289 | |
| 320 | E | A | -1.3952 | |
| 321 | F | A | 0.0472 | |
| 322 | Y | A | 0.0000 | |
| 323 | W | A | 0.2831 | |
| 324 | R | A | -1.3153 | |
| 325 | G | A | 0.0000 | |
| 326 | I | A | 0.0000 | |
| 327 | H | A | -0.4477 | |
| 328 | K | A | -0.8252 | |
| 329 | L | A | 0.0000 | |
| 330 | P | A | -0.3536 | |
| 331 | E | A | -1.8853 | |
| 332 | R | A | -0.6660 | |
| 333 | W | A | 0.0000 | |
| 334 | E | A | -1.7280 | |
| 335 | K | A | -1.4788 | |
| 336 | C | A | 0.0000 | |
| 337 | V | A | 0.3652 | |
| 338 | A | A | 0.0003 | |
| 339 | S | A | -0.3553 | |
| 340 | D | A | -1.7977 | |
| 341 | G | A | 0.0000 | |
| 342 | K | A | -1.3879 | |
| 343 | Y | A | -0.0646 | |
| 344 | L | A | -0.1018 | |
| 345 | E | A | -1.7830 | |
| 1 | M | B | 1.0413 | |
| 2 | S | B | 0.0894 | |
| 3 | S | B | -0.1792 | |
| 4 | F | B | 0.5362 | |
| 5 | V | B | 1.8186 | |
| 6 | P | B | 0.0000 | |
| 7 | N | B | -1.2191 | |
| 8 | K | B | -2.0981 | |
| 9 | E | B | -1.6243 | |
| 10 | Q | B | -0.3799 | |
| 11 | T | B | 0.0000 | |
| 12 | R | B | -0.1873 | |
| 13 | T | B | 0.0000 | |
| 14 | V | B | 0.0000 | |
| 15 | L | B | 0.0000 | |
| 16 | I | B | 0.0000 | |
| 17 | F | B | 0.0000 | |
| 18 | C | B | 0.0000 | |
| 19 | F | B | 0.3336 | |
| 20 | H | B | 0.0000 | |
| 21 | L | B | 0.0000 | |
| 22 | K | B | -1.8093 | |
| 23 | K | B | -0.9229 | |
| 24 | T | B | -0.1745 | |
| 25 | A | B | -0.0024 | |
| 26 | A | B | -0.1687 | |
| 27 | E | B | -1.2358 | |
| 28 | S | B | 0.0000 | |
| 29 | H | B | -0.4662 | |
| 30 | R | B | -1.9473 | |
| 31 | M | B | -0.3664 | |
| 32 | L | B | 0.0000 | |
| 33 | V | B | 0.3352 | |
| 34 | E | B | -1.6841 | |
| 35 | A | B | 0.0000 | |
| 36 | F | B | 0.0000 | |
| 37 | G | B | -0.2929 | |
| 38 | E | B | -2.0408 | |
| 39 | Q | B | -1.4831 | |
| 40 | V | B | -0.0192 | |
| 41 | P | B | -0.0289 | |
| 42 | T | B | 0.0229 | |
| 43 | V | B | 0.2546 | |
| 44 | K | B | -1.7557 | |
| 45 | K | B | -1.1961 | |
| 46 | C | B | 0.0000 | |
| 47 | E | B | -2.1544 | |
| 48 | R | B | -2.1517 | |
| 49 | W | B | -0.2097 | |
| 50 | F | B | 0.0000 | |
| 51 | Q | B | -1.3189 | |
| 52 | R | B | -0.8817 | |
| 53 | F | B | 0.0000 | |
| 54 | K | B | -1.7385 | |
| 55 | S | B | -0.6035 | |
| 56 | G | B | -0.5848 | |
| 57 | D | B | -0.4884 | |
| 58 | F | B | -0.0183 | |
| 59 | D | B | -0.9074 | |
| 60 | V | B | -0.1763 | |
| 61 | D | B | -2.0231 | |
| 62 | D | B | -2.2308 | |
| 63 | K | B | -2.3230 | |
| 64 | E | B | -2.3155 | |
| 65 | H | B | -1.4153 | |
| 66 | G | B | -0.9607 | |
| 67 | K | B | -1.8322 | |
| 68 | P | B | -0.6119 | |
| 69 | P | B | -0.6121 | |
| 70 | K | B | -2.0792 | |
| 71 | R | B | -2.1507 | |
| 72 | Y | B | 0.0000 | |
| 73 | E | B | -1.5450 | |
| 74 | D | B | -1.4053 | |
| 75 | A | B | -0.4605 | |
| 76 | E | B | -1.4748 | |
| 77 | L | B | 0.0000 | |
| 78 | Q | B | -0.3816 | |
| 79 | A | B | -0.1630 | |
| 80 | L | B | 0.2745 | |
| 81 | L | B | 0.0000 | |
| 82 | D | B | -2.1119 | |
| 83 | E | B | -2.2563 | |
| 84 | D | B | -1.0228 | |
| 85 | D | B | -0.3954 | |
| 86 | A | B | -0.0923 | |
| 87 | Q | B | -0.2980 | |
| 88 | T | B | -0.1657 | |
| 89 | Q | B | -0.5671 | |
| 90 | K | B | -1.6791 | |
| 91 | Q | B | -1.1773 | |
| 92 | L | B | 0.0000 | |
| 93 | A | B | 0.0000 | |
| 94 | E | B | -2.0348 | |
| 95 | Q | B | -1.4918 | |
| 96 | L | B | -0.3546 | |
| 97 | E | B | -1.7518 | |
| 98 | V | B | -0.1701 | |
| 99 | S | B | -0.3103 | |
| 100 | Q | B | -0.9893 | |
| 101 | Q | B | -1.3301 | |
| 102 | A | B | -0.1953 | |
| 103 | V | B | 0.0000 | |
| 104 | S | B | -0.3770 | |
| 105 | N | B | -1.2570 | |
| 106 | R | B | -0.6077 | |
| 107 | L | B | 0.0000 | |
| 108 | R | B | -2.1717 | |
| 109 | E | B | -2.1367 | |
| 110 | M | B | -0.1741 | |
| 111 | G | B | -0.2299 | |
| 112 | K | B | 0.0000 | |
| 113 | I | B | 0.6098 | |
| 114 | Q | B | -0.5250 | |
| 115 | K | B | -0.6174 | |
| 116 | V | B | 0.6967 | |
| 117 | G | B | 0.0000 | |
| 118 | R | B | -1.7199 | |
| 119 | W | B | 0.4220 | |
| 120 | V | B | 0.3586 | |
| 121 | P | B | -0.0514 | |
| 122 | H | B | -0.5592 | |
| 123 | E | B | -1.8258 | |
| 124 | L | B | -0.3289 | |
| 125 | N | B | -1.3042 | |
| 126 | E | B | -2.3356 | |
| 127 | R | B | -2.2121 | |
| 128 | Q | B | -0.5085 | |
| 129 | M | B | -0.1643 | |
| 130 | E | B | -2.0748 | |
| 131 | R | B | -1.9534 | |
| 132 | R | B | 0.0000 | |
| 133 | K | B | -0.4461 | |
| 134 | N | B | -0.5906 | |
| 135 | T | B | 0.0000 | |
| 136 | C | B | 0.0000 | |
| 137 | E | B | -0.9561 | |
| 138 | I | B | 1.7759 | |
| 139 | L | B | 0.0000 | |
| 140 | L | B | 0.0000 | |
| 141 | S | B | -0.2683 | |
| 142 | R | B | -0.4600 | |
| 143 | Y | B | 0.0171 | |
| 144 | K | B | -1.9548 | |
| 145 | R | B | -2.4589 | |
| 146 | K | B | -2.0615 | |
| 147 | S | B | -0.4071 | |
| 148 | F | B | 0.0000 | |
| 149 | L | B | 0.0000 | |
| 150 | H | B | -0.2314 | |
| 151 | R | B | 0.0000 | |
| 152 | I | B | 0.0000 | |
| 153 | V | B | 0.0000 | |
| 154 | T | B | 0.0000 | |
| 155 | G | B | 0.0000 | |
| 156 | D | B | -0.3779 | |
| 157 | E | B | -0.6304 | |
| 158 | K | B | -0.5168 | |
| 159 | W | B | 0.2186 | |
| 160 | I | B | 0.0000 | |
| 161 | F | B | 0.4548 | |
| 162 | F | B | 0.0000 | |
| 163 | V | B | 0.4593 | |
| 164 | S | B | 0.0588 | |
| 165 | P | B | -0.2942 | |
| 166 | K | B | -1.5816 | |
| 167 | R | B | -1.6433 | |
| 168 | K | B | -1.0252 | |
| 169 | K | B | -1.1848 | |
| 170 | S | B | 0.0000 | |
| 171 | Y | B | 0.0000 | |
| 172 | V | B | 0.0000 | |
| 173 | D | B | -0.8240 | |
| 174 | P | B | -0.4762 | |
| 175 | G | B | -0.6846 | |
| 176 | Q | B | -1.0832 | |
| 177 | P | B | -0.4264 | |
| 178 | A | B | -0.0449 | |
| 179 | T | B | -0.0517 | |
| 180 | S | B | -0.3487 | |
| 181 | T | B | -0.0327 | |
| 182 | A | B | -0.2424 | |
| 183 | R | B | -1.3995 | |
| 184 | P | B | -0.6888 | |
| 185 | N | B | -1.6513 | |
| 186 | R | B | -1.7220 | |
| 187 | F | B | 1.5934 | |
| 188 | G | B | -0.1634 | |
| 189 | K | B | -1.7289 | |
| 190 | K | B | -0.6800 | |
| 191 | T | B | 0.0000 | |
| 192 | M | B | 0.0000 | |
| 193 | L | B | 0.0000 | |
| 194 | C | B | 0.0000 | |
| 195 | V | B | 0.0000 | |
| 196 | W | B | 0.0000 | |
| 197 | W | B | 0.0000 | |
| 198 | D | B | 0.0000 | |
| 199 | Q | B | -0.0646 | |
| 200 | S | B | -0.0771 | |
| 201 | G | B | 0.0000 | |
| 202 | V | B | 0.2423 | |
| 203 | I | B | 0.0000 | |
| 204 | Y | B | 0.3143 | |
| 205 | Y | B | 0.2145 | |
| 206 | E | B | -0.2538 | |
| 207 | L | B | 0.0000 | |
| 208 | L | B | 0.0000 | |
| 209 | K | B | -2.0356 | |
| 210 | R | B | -2.2384 | |
| 211 | G | B | -0.9134 | |
| 212 | E | B | -0.7130 | |
| 213 | T | B | -0.1830 | |
| 214 | V | B | 0.0000 | |
| 215 | N | B | -1.2792 | |
| 216 | T | B | -0.2560 | |
| 217 | A | B | -0.0402 | |
| 218 | R | B | -0.5013 | |
| 219 | Y | B | 0.0000 | |
| 220 | Q | B | -0.4894 | |
| 221 | Q | B | -1.1062 | |
| 222 | Q | B | 0.0000 | |
| 223 | L | B | 0.0000 | |
| 224 | I | B | 0.6351 | |
| 225 | N | B | -0.0738 | |
| 226 | L | B | 0.0000 | |
| 227 | N | B | -0.3977 | |
| 228 | R | B | -1.2588 | |
| 229 | A | B | -0.2174 | |
| 230 | L | B | 0.0000 | |
| 231 | Q | B | -0.7545 | |
| 232 | R | B | -2.1645 | |
| 233 | K | B | -1.8673 | |
| 234 | R | B | -0.4842 | |
| 235 | P | B | -0.1340 | |
| 236 | E | B | 0.0000 | |
| 237 | Y | B | 0.0000 | |
| 238 | Q | B | -1.5381 | |
| 239 | K | B | -2.2419 | |
| 240 | R | B | -2.3614 | |
| 241 | Q | B | -1.5323 | |
| 242 | H | B | 0.0000 | |
| 243 | R | B | -1.2092 | |
| 244 | V | B | 0.0000 | |
| 245 | I | B | 0.0000 | |
| 246 | F | B | 0.0000 | |
| 247 | L | B | 0.0000 | |
| 248 | H | B | 0.0000 | |
| 249 | D | B | -0.9093 | |
| 250 | N | B | -1.3939 | |
| 251 | A | B | -0.2652 | |
| 252 | P | B | -0.2577 | |
| 253 | S | B | -0.0754 | |
| 254 | H | B | 0.0000 | |
| 255 | T | B | -0.0190 | |
| 256 | A | B | -0.3280 | |
| 257 | R | B | -1.8384 | |
| 258 | A | B | -0.3122 | |
| 259 | V | B | 0.0000 | |
| 260 | R | B | -2.1674 | |
| 261 | D | B | -2.1239 | |
| 262 | T | B | -0.3275 | |
| 263 | L | B | 0.0000 | |
| 264 | E | B | -1.9736 | |
| 265 | T | B | -0.3481 | |
| 266 | L | B | 0.0268 | |
| 267 | N | B | -1.4274 | |
| 268 | W | B | 0.0000 | |
| 269 | E | B | -0.2267 | |
| 270 | V | B | 0.8252 | |
| 271 | L | B | 0.0000 | |
| 272 | P | B | -0.1126 | |
| 273 | H | B | -0.1360 | |
| 274 | A | B | 0.0000 | |
| 275 | A | B | 0.2178 | |
| 276 | Y | B | 0.9997 | |
| 277 | S | B | 0.0000 | |
| 278 | P | B | -0.0943 | |
| 279 | D | B | -0.2042 | |
| 280 | L | B | 0.0000 | |
| 281 | A | B | -0.0008 | |
| 282 | P | B | 0.0000 | |
| 283 | S | B | 0.0000 | |
| 284 | D | B | -0.7550 | |
| 285 | Y | B | 0.0040 | |
| 286 | H | B | 0.0000 | |
| 287 | L | B | 0.0000 | |
| 288 | F | B | 0.0000 | |
| 289 | A | B | 0.0185 | |
| 290 | S | B | -0.0389 | |
| 291 | M | B | 0.0000 | |
| 292 | G | B | -0.4336 | |
| 293 | H | B | -1.0334 | |
| 294 | A | B | -0.1639 | |
| 295 | L | B | 0.0000 | |
| 296 | A | B | -0.3060 | |
| 297 | E | B | -1.8462 | |
| 298 | Q | B | -1.0776 | |
| 299 | R | B | -1.8440 | |
| 300 | F | B | 0.0000 | |
| 301 | D | B | -1.8011 | |
| 302 | S | B | -0.3557 | |
| 303 | Y | B | -0.1675 | |
| 304 | E | B | -1.7969 | |
| 305 | S | B | -0.3774 | |
| 306 | V | B | 0.0000 | |
| 307 | K | B | -0.9966 | |
| 308 | K | B | -1.7974 | |
| 309 | W | B | -0.1553 | |
| 310 | L | B | 0.0000 | |
| 311 | D | B | -2.0806 | |
| 312 | E | B | -2.1147 | |
| 313 | W | B | -0.2099 | |
| 314 | F | B | 0.0000 | |
| 315 | A | B | 0.0690 | |
| 316 | A | B | -0.0011 | |
| 317 | K | B | -0.7103 | |
| 318 | D | B | -1.9529 | |
| 319 | D | B | -0.9756 | |
| 320 | E | B | -0.7905 | |
| 321 | F | B | 0.1220 | |
| 322 | Y | B | 0.0000 | |
| 323 | W | B | 0.2321 | |
| 324 | R | B | -1.7086 | |
| 325 | G | B | 0.0000 | |
| 326 | I | B | 0.0000 | |
| 327 | H | B | -0.5482 | |
| 328 | K | B | -0.7955 | |
| 329 | L | B | 0.0000 | |
| 330 | P | B | 0.0000 | |
| 331 | E | B | -1.6266 | |
| 332 | R | B | -0.6252 | |
| 333 | W | B | 0.0000 | |
| 334 | E | B | -1.8258 | |
| 335 | K | B | -1.7170 | |
| 336 | C | B | 0.0000 | |
| 337 | V | B | 0.3675 | |
| 338 | A | B | -0.0232 | |
| 339 | S | B | -0.3511 | |
| 340 | D | B | -1.7972 | |
| 341 | G | B | 0.0000 | |
| 342 | K | B | -1.5938 | |
| 343 | Y | B | -0.0996 | |
| 344 | L | B | -0.0673 | |
| 345 | E | B | -1.7773 | |
| 1 | M | C | 1.0435 | |
| 2 | S | C | 0.1004 | |
| 3 | S | C | -0.1800 | |
| 4 | F | C | 0.5205 | |
| 5 | V | C | 1.8157 | |
| 6 | P | C | 0.0000 | |
| 7 | N | C | -1.3850 | |
| 8 | K | C | -1.9648 | |
| 9 | E | C | -0.8557 | |
| 10 | Q | C | -0.2186 | |
| 11 | T | C | 0.0000 | |
| 12 | R | C | -0.1796 | |
| 13 | T | C | 0.0000 | |
| 14 | V | C | 0.0000 | |
| 15 | L | C | 0.0000 | |
| 16 | I | C | 0.0000 | |
| 17 | F | C | 0.0000 | |
| 18 | C | C | 0.0000 | |
| 19 | F | C | 0.3284 | |
| 20 | H | C | 0.0000 | |
| 21 | L | C | 0.0000 | |
| 22 | K | C | -1.8184 | |
| 23 | K | C | -0.9744 | |
| 24 | T | C | -0.1851 | |
| 25 | A | C | -0.0022 | |
| 26 | A | C | -0.1629 | |
| 27 | E | C | -1.2041 | |
| 28 | S | C | 0.0000 | |
| 29 | H | C | -0.4614 | |
| 30 | R | C | -1.9383 | |
| 31 | M | C | -0.3386 | |
| 32 | L | C | 0.0000 | |
| 33 | V | C | 0.3720 | |
| 34 | E | C | -1.6742 | |
| 35 | A | C | 0.0000 | |
| 36 | F | C | 0.0000 | |
| 37 | G | C | -0.3106 | |
| 38 | E | C | -2.0460 | |
| 39 | Q | C | -1.4851 | |
| 40 | V | C | -0.0216 | |
| 41 | P | C | -0.0296 | |
| 42 | T | C | 0.0176 | |
| 43 | V | C | 0.2264 | |
| 44 | K | C | -1.7627 | |
| 45 | K | C | -1.2050 | |
| 46 | C | C | 0.0000 | |
| 47 | E | C | -2.1525 | |
| 48 | R | C | -2.1723 | |
| 49 | W | C | 0.0000 | |
| 50 | F | C | 0.0000 | |
| 51 | Q | C | -1.3110 | |
| 52 | R | C | -0.8383 | |
| 53 | F | C | 0.0000 | |
| 54 | K | C | -1.7384 | |
| 55 | S | C | -0.6032 | |
| 56 | G | C | -0.5728 | |
| 57 | D | C | -0.4169 | |
| 58 | F | C | -0.1285 | |
| 59 | D | C | -1.6866 | |
| 60 | V | C | -0.4544 | |
| 61 | D | C | -1.8396 | |
| 62 | D | C | -1.1076 | |
| 63 | K | C | -2.1195 | |
| 64 | E | C | -2.1924 | |
| 65 | H | C | -0.6581 | |
| 66 | G | C | 0.0000 | |
| 67 | K | C | -1.7082 | |
| 68 | P | C | -0.3714 | |
| 69 | P | C | -0.4139 | |
| 70 | K | C | -1.9284 | |
| 71 | R | C | -1.4751 | |
| 72 | Y | C | 0.0000 | |
| 73 | E | C | -1.3325 | |
| 74 | D | C | -1.2283 | |
| 75 | A | C | -0.4331 | |
| 76 | E | C | -1.4671 | |
| 77 | L | C | 0.0000 | |
| 78 | Q | C | -0.3657 | |
| 79 | A | C | -0.1743 | |
| 80 | L | C | 0.2118 | |
| 81 | L | C | 0.0000 | |
| 82 | D | C | -2.1116 | |
| 83 | E | C | -2.3200 | |
| 84 | D | C | -1.3792 | |
| 85 | D | C | -0.4563 | |
| 86 | A | C | -0.0717 | |
| 87 | Q | C | -0.1875 | |
| 88 | T | C | -0.1436 | |
| 89 | Q | C | -0.5453 | |
| 90 | K | C | -1.7340 | |
| 91 | Q | C | -1.4635 | |
| 92 | L | C | 0.0000 | |
| 93 | A | C | 0.0000 | |
| 94 | E | C | -2.0343 | |
| 95 | Q | C | -1.4907 | |
| 96 | L | C | -0.3521 | |
| 97 | E | C | -1.7539 | |
| 98 | V | C | -0.1502 | |
| 99 | S | C | -0.1441 | |
| 100 | Q | C | -0.9926 | |
| 101 | Q | C | -1.3335 | |
| 102 | A | C | -0.1963 | |
| 103 | V | C | 0.0000 | |
| 104 | S | C | 0.0000 | |
| 105 | N | C | -0.8035 | |
| 106 | R | C | -0.5416 | |
| 107 | L | C | 0.0000 | |
| 108 | R | C | -2.1721 | |
| 109 | E | C | -2.1395 | |
| 110 | M | C | -0.1846 | |
| 111 | G | C | -0.2863 | |
| 112 | K | C | -0.0838 | |
| 113 | I | C | 0.7660 | |
| 114 | Q | C | -1.0178 | |
| 115 | K | C | -0.8127 | |
| 116 | V | C | 0.5550 | |
| 117 | G | C | 0.0000 | |
| 118 | R | C | -1.8074 | |
| 119 | W | C | -0.0290 | |
| 120 | V | C | 0.2466 | |
| 121 | P | C | -0.0464 | |
| 122 | H | C | -0.5475 | |
| 123 | E | C | -1.8232 | |
| 124 | L | C | -0.3330 | |
| 125 | N | C | -1.3472 | |
| 126 | E | C | -2.3449 | |
| 127 | R | C | -2.2097 | |
| 128 | Q | C | -0.4889 | |
| 129 | M | C | -0.1215 | |
| 130 | E | C | -1.8831 | |
| 131 | R | C | -2.1287 | |
| 132 | R | C | 0.0000 | |
| 133 | K | C | -0.5464 | |
| 134 | N | C | -1.3364 | |
| 135 | T | C | -0.2365 | |
| 136 | C | C | 0.0000 | |
| 137 | E | C | -1.2662 | |
| 138 | I | C | 1.4204 | |
| 139 | L | C | 0.0000 | |
| 140 | L | C | 0.0000 | |
| 141 | S | C | -0.1633 | |
| 142 | R | C | -0.3920 | |
| 143 | Y | C | -0.0218 | |
| 144 | K | C | -1.9607 | |
| 145 | R | C | -2.4563 | |
| 146 | K | C | -2.0678 | |
| 147 | S | C | -0.4505 | |
| 148 | F | C | 0.0000 | |
| 149 | L | C | 0.0000 | |
| 150 | H | C | -0.6421 | |
| 151 | R | C | -0.4245 | |
| 152 | I | C | 0.0000 | |
| 153 | V | C | 0.0000 | |
| 154 | T | C | 0.0000 | |
| 155 | G | C | 0.0000 | |
| 156 | D | C | -0.3308 | |
| 157 | E | C | -0.5042 | |
| 158 | K | C | -0.3911 | |
| 159 | W | C | 0.2192 | |
| 160 | I | C | 0.0000 | |
| 161 | F | C | 0.5116 | |
| 162 | F | C | 0.0000 | |
| 163 | V | C | 0.3013 | |
| 164 | S | C | 0.0262 | |
| 165 | P | C | -0.3379 | |
| 166 | K | C | -1.8066 | |
| 167 | R | C | -1.6006 | |
| 168 | K | C | -1.0561 | |
| 169 | K | C | -1.2700 | |
| 170 | S | C | 0.0000 | |
| 171 | Y | C | 0.0000 | |
| 172 | V | C | 0.0000 | |
| 173 | D | C | -0.7089 | |
| 174 | P | C | -0.4553 | |
| 175 | G | C | -0.6692 | |
| 176 | Q | C | -0.9977 | |
| 177 | P | C | -0.4103 | |
| 178 | A | C | -0.0452 | |
| 179 | T | C | -0.0468 | |
| 180 | S | C | -0.3085 | |
| 181 | T | C | -0.0233 | |
| 182 | A | C | -0.1747 | |
| 183 | R | C | -1.0744 | |
| 184 | P | C | -0.3751 | |
| 185 | N | C | -0.9069 | |
| 186 | R | C | -1.5919 | |
| 187 | F | C | 1.5921 | |
| 188 | G | C | -0.1054 | |
| 189 | K | C | -1.7940 | |
| 190 | K | C | -0.6551 | |
| 191 | T | C | 0.0000 | |
| 192 | M | C | 0.0000 | |
| 193 | L | C | 0.0000 | |
| 194 | C | C | 0.0000 | |
| 195 | V | C | 0.0000 | |
| 196 | W | C | 0.0000 | |
| 197 | W | C | 0.0000 | |
| 198 | D | C | 0.0000 | |
| 199 | Q | C | -0.1625 | |
| 200 | S | C | -0.1887 | |
| 201 | G | C | 0.0000 | |
| 202 | V | C | 0.2487 | |
| 203 | I | C | 0.0000 | |
| 204 | Y | C | 0.3010 | |
| 205 | Y | C | 0.2256 | |
| 206 | E | C | -0.2341 | |
| 207 | L | C | 0.0000 | |
| 208 | L | C | 0.0000 | |
| 209 | K | C | -2.0341 | |
| 210 | R | C | -2.2370 | |
| 211 | G | C | -0.9240 | |
| 212 | E | C | -0.7732 | |
| 213 | T | C | -0.1617 | |
| 214 | V | C | -0.0688 | |
| 215 | N | C | -1.2467 | |
| 216 | T | C | -0.2586 | |
| 217 | A | C | -0.0321 | |
| 218 | R | C | -0.4580 | |
| 219 | Y | C | 0.0000 | |
| 220 | Q | C | -0.7845 | |
| 221 | Q | C | -1.1974 | |
| 222 | Q | C | 0.0000 | |
| 223 | L | C | 0.0000 | |
| 224 | I | C | 0.5381 | |
| 225 | N | C | -0.1250 | |
| 226 | L | C | 0.0000 | |
| 227 | N | C | -0.3836 | |
| 228 | R | C | -1.2256 | |
| 229 | A | C | -0.2099 | |
| 230 | L | C | 0.0000 | |
| 231 | Q | C | -0.7421 | |
| 232 | R | C | -2.1671 | |
| 233 | K | C | -1.8943 | |
| 234 | R | C | -0.5317 | |
| 235 | P | C | -0.3555 | |
| 236 | E | C | -0.7356 | |
| 237 | Y | C | 0.0000 | |
| 238 | Q | C | -1.5352 | |
| 239 | K | C | -2.2420 | |
| 240 | R | C | -2.3603 | |
| 241 | Q | C | -1.6023 | |
| 242 | H | C | -0.8706 | |
| 243 | R | C | -1.4784 | |
| 244 | V | C | 0.0000 | |
| 245 | I | C | 0.0000 | |
| 246 | F | C | 0.0000 | |
| 247 | L | C | 0.0000 | |
| 248 | H | C | 0.0000 | |
| 249 | D | C | -0.7434 | |
| 250 | N | C | -1.3639 | |
| 251 | A | C | -0.2640 | |
| 252 | P | C | -0.2578 | |
| 253 | S | C | -0.0770 | |
| 254 | H | C | 0.0000 | |
| 255 | T | C | -0.0186 | |
| 256 | A | C | -0.3274 | |
| 257 | R | C | -1.8339 | |
| 258 | A | C | -0.2866 | |
| 259 | V | C | 0.0000 | |
| 260 | R | C | -1.3786 | |
| 261 | D | C | -1.9797 | |
| 262 | T | C | 0.0000 | |
| 263 | L | C | 0.0000 | |
| 264 | E | C | -1.9709 | |
| 265 | T | C | -0.3458 | |
| 266 | L | C | 0.0412 | |
| 267 | N | C | -1.4210 | |
| 268 | W | C | 0.0000 | |
| 269 | E | C | -0.2199 | |
| 270 | V | C | 1.0219 | |
| 271 | L | C | 0.0000 | |
| 272 | P | C | -0.1679 | |
| 273 | H | C | -0.1860 | |
| 274 | A | C | 0.0000 | |
| 275 | A | C | 0.2009 | |
| 276 | Y | C | 0.9433 | |
| 277 | S | C | 0.0000 | |
| 278 | P | C | -0.0932 | |
| 279 | D | C | -0.2031 | |
| 280 | L | C | 0.0000 | |
| 281 | A | C | -0.0005 | |
| 282 | P | C | 0.0000 | |
| 283 | S | C | 0.0000 | |
| 284 | D | C | -0.7478 | |
| 285 | Y | C | 0.0015 | |
| 286 | H | C | 0.0000 | |
| 287 | L | C | 0.0000 | |
| 288 | F | C | 0.0000 | |
| 289 | A | C | 0.0186 | |
| 290 | S | C | -0.0391 | |
| 291 | M | C | 0.0000 | |
| 292 | G | C | -0.4565 | |
| 293 | H | C | -1.0374 | |
| 294 | A | C | -0.1633 | |
| 295 | L | C | 0.0000 | |
| 296 | A | C | -0.3090 | |
| 297 | E | C | -1.8794 | |
| 298 | Q | C | -1.0124 | |
| 299 | R | C | -1.8490 | |
| 300 | F | C | 0.0000 | |
| 301 | D | C | -1.8010 | |
| 302 | S | C | -0.3567 | |
| 303 | Y | C | -0.1723 | |
| 304 | E | C | -1.7978 | |
| 305 | S | C | -0.3760 | |
| 306 | V | C | 0.0000 | |
| 307 | K | C | -0.9374 | |
| 308 | K | C | -1.7870 | |
| 309 | W | C | -0.1574 | |
| 310 | L | C | 0.0000 | |
| 311 | D | C | -1.8427 | |
| 312 | E | C | -2.0718 | |
| 313 | W | C | -0.2076 | |
| 314 | F | C | 0.0000 | |
| 315 | A | C | 0.0690 | |
| 316 | A | C | -0.0017 | |
| 317 | K | C | -0.7122 | |
| 318 | D | C | -2.1831 | |
| 319 | D | C | -2.3402 | |
| 320 | E | C | -1.4615 | |
| 321 | F | C | 0.0381 | |
| 322 | Y | C | 0.0000 | |
| 323 | W | C | 0.2595 | |
| 324 | R | C | -1.5636 | |
| 325 | G | C | 0.0000 | |
| 326 | I | C | 0.0000 | |
| 327 | H | C | -0.4260 | |
| 328 | K | C | -0.8173 | |
| 329 | L | C | 0.0000 | |
| 330 | P | C | 0.0000 | |
| 331 | E | C | -1.8807 | |
| 332 | R | C | -0.6655 | |
| 333 | W | C | 0.0000 | |
| 334 | E | C | -2.0542 | |
| 335 | K | C | -1.6196 | |
| 336 | C | C | 0.0000 | |
| 337 | V | C | 0.2291 | |
| 338 | A | C | -0.0354 | |
| 339 | S | C | -0.3601 | |
| 340 | D | C | -1.7985 | |
| 341 | G | C | 0.0000 | |
| 342 | K | C | -1.5859 | |
| 343 | Y | C | -0.1006 | |
| 344 | L | C | -0.0763 | |
| 345 | E | C | -1.7788 | |
| 1 | M | D | 1.0413 | |
| 2 | S | D | 0.0882 | |
| 3 | S | D | -0.1789 | |
| 4 | F | D | 0.5385 | |
| 5 | V | D | 1.8190 | |
| 6 | P | D | 0.0000 | |
| 7 | N | D | -1.2332 | |
| 8 | K | D | -2.0900 | |
| 9 | E | D | -1.5647 | |
| 10 | Q | D | -0.3657 | |
| 11 | T | D | 0.0000 | |
| 12 | R | D | -0.1825 | |
| 13 | T | D | 0.0000 | |
| 14 | V | D | 0.0000 | |
| 15 | L | D | 0.0000 | |
| 16 | I | D | 0.0000 | |
| 17 | F | D | 0.0000 | |
| 18 | C | D | 0.0000 | |
| 19 | F | D | 0.3496 | |
| 20 | H | D | 0.0000 | |
| 21 | L | D | 0.0000 | |
| 22 | K | D | -1.8137 | |
| 23 | K | D | -0.9480 | |
| 24 | T | D | -0.1788 | |
| 25 | A | D | -0.0021 | |
| 26 | A | D | -0.1728 | |
| 27 | E | D | -1.2584 | |
| 28 | S | D | 0.0000 | |
| 29 | H | D | -0.4667 | |
| 30 | R | D | -1.9472 | |
| 31 | M | D | -0.3526 | |
| 32 | L | D | 0.0000 | |
| 33 | V | D | 0.3643 | |
| 34 | E | D | -1.6778 | |
| 35 | A | D | 0.0000 | |
| 36 | F | D | 0.0000 | |
| 37 | G | D | -0.2901 | |
| 38 | E | D | -2.0410 | |
| 39 | Q | D | -1.4829 | |
| 40 | V | D | -0.0193 | |
| 41 | P | D | -0.0287 | |
| 42 | T | D | 0.0172 | |
| 43 | V | D | 0.2224 | |
| 44 | K | D | -1.7954 | |
| 45 | K | D | -1.3855 | |
| 46 | C | D | 0.0000 | |
| 47 | E | D | -2.1536 | |
| 48 | R | D | -2.1734 | |
| 49 | W | D | 0.0000 | |
| 50 | F | D | 0.0000 | |
| 51 | Q | D | -1.3600 | |
| 52 | R | D | -1.1071 | |
| 53 | F | D | 0.0000 | |
| 54 | K | D | -1.7384 | |
| 55 | S | D | -0.6030 | |
| 56 | G | D | -0.5903 | |
| 57 | D | D | -0.5175 | |
| 58 | F | D | -0.0606 | |
| 59 | D | D | -1.1820 | |
| 60 | V | D | -0.2380 | |
| 61 | D | D | -2.0309 | |
| 62 | D | D | -2.2649 | |
| 63 | K | D | -2.3306 | |
| 64 | E | D | -2.3156 | |
| 65 | H | D | -1.4153 | |
| 66 | G | D | -0.9611 | |
| 67 | K | D | -1.8322 | |
| 68 | P | D | -0.6117 | |
| 69 | P | D | -0.6062 | |
| 70 | K | D | -2.0447 | |
| 71 | R | D | -2.1448 | |
| 72 | Y | D | 0.0000 | |
| 73 | E | D | -2.0511 | |
| 74 | D | D | -1.5898 | |
| 75 | A | D | -0.4726 | |
| 76 | E | D | -1.4518 | |
| 77 | L | D | 0.0000 | |
| 78 | Q | D | -0.3679 | |
| 79 | A | D | -0.1760 | |
| 80 | L | D | 0.2105 | |
| 81 | L | D | 0.0000 | |
| 82 | D | D | -2.1126 | |
| 83 | E | D | -2.3129 | |
| 84 | D | D | -1.3364 | |
| 85 | D | D | -0.4449 | |
| 86 | A | D | -0.0724 | |
| 87 | Q | D | -0.1946 | |
| 88 | T | D | -0.1454 | |
| 89 | Q | D | -0.5567 | |
| 90 | K | D | -1.7136 | |
| 91 | Q | D | -1.4587 | |
| 92 | L | D | 0.0000 | |
| 93 | A | D | 0.0000 | |
| 94 | E | D | -2.0347 | |
| 95 | Q | D | -1.4915 | |
| 96 | L | D | -0.3532 | |
| 97 | E | D | -1.7513 | |
| 98 | V | D | -0.1680 | |
| 99 | S | D | -0.3270 | |
| 100 | Q | D | -1.0820 | |
| 101 | Q | D | -1.3467 | |
| 102 | A | D | -0.1921 | |
| 103 | V | D | 0.0000 | |
| 104 | S | D | -0.2763 | |
| 105 | N | D | -0.6678 | |
| 106 | R | D | -0.5227 | |
| 107 | L | D | 0.0000 | |
| 108 | R | D | -2.1715 | |
| 109 | E | D | -2.1393 | |
| 110 | M | D | -0.1788 | |
| 111 | G | D | -0.2697 | |
| 112 | K | D | -0.1197 | |
| 113 | I | D | 0.7891 | |
| 114 | Q | D | -0.7192 | |
| 115 | K | D | -0.7136 | |
| 116 | V | D | 0.7774 | |
| 117 | G | D | 0.0000 | |
| 118 | R | D | -1.8050 | |
| 119 | W | D | -0.0354 | |
| 120 | V | D | 0.2809 | |
| 121 | P | D | -0.0426 | |
| 122 | H | D | -0.5125 | |
| 123 | E | D | -1.8138 | |
| 124 | L | D | -0.3034 | |
| 125 | N | D | -1.2700 | |
| 126 | E | D | -2.3304 | |
| 127 | R | D | -2.2078 | |
| 128 | Q | D | -0.4878 | |
| 129 | M | D | -0.1553 | |
| 130 | E | D | -1.9803 | |
| 131 | R | D | -2.1456 | |
| 132 | R | D | 0.0000 | |
| 133 | K | D | -0.5594 | |
| 134 | N | D | -1.3391 | |
| 135 | T | D | -0.2372 | |
| 136 | C | D | 0.0000 | |
| 137 | E | D | -1.1760 | |
| 138 | I | D | 1.4114 | |
| 139 | L | D | 0.0000 | |
| 140 | L | D | 0.0000 | |
| 141 | S | D | -0.1701 | |
| 142 | R | D | -0.4060 | |
| 143 | Y | D | 0.0005 | |
| 144 | K | D | -1.9602 | |
| 145 | R | D | -2.4587 | |
| 146 | K | D | -2.0558 | |
| 147 | S | D | -0.3816 | |
| 148 | F | D | 0.0000 | |
| 149 | L | D | 0.0000 | |
| 150 | H | D | -0.2163 | |
| 151 | R | D | 0.0000 | |
| 152 | I | D | 0.0000 | |
| 153 | V | D | 0.0000 | |
| 154 | T | D | 0.0000 | |
| 155 | G | D | 0.0000 | |
| 156 | D | D | -0.3816 | |
| 157 | E | D | -0.5942 | |
| 158 | K | D | -0.4631 | |
| 159 | W | D | 0.2515 | |
| 160 | I | D | 0.0000 | |
| 161 | F | D | 0.5308 | |
| 162 | F | D | 0.0000 | |
| 163 | V | D | 0.4126 | |
| 164 | S | D | 0.0373 | |
| 165 | P | D | -0.3707 | |
| 166 | K | D | -1.8783 | |
| 167 | R | D | -1.3480 | |
| 168 | K | D | -1.0397 | |
| 169 | K | D | -1.4799 | |
| 170 | S | D | 0.0000 | |
| 171 | Y | D | 0.0000 | |
| 172 | V | D | 0.0000 | |
| 173 | D | D | -0.5515 | |
| 174 | P | D | -0.4275 | |
| 175 | G | D | -0.6481 | |
| 176 | Q | D | -0.8804 | |
| 177 | P | D | -0.3900 | |
| 178 | A | D | -0.0450 | |
| 179 | T | D | -0.0525 | |
| 180 | S | D | -0.3458 | |
| 181 | T | D | -0.0313 | |
| 182 | A | D | -0.2853 | |
| 183 | R | D | -1.6410 | |
| 184 | P | D | -0.7027 | |
| 185 | N | D | -1.6461 | |
| 186 | R | D | -1.7216 | |
| 187 | F | D | 1.5925 | |
| 188 | G | D | -0.1448 | |
| 189 | K | D | -1.6074 | |
| 190 | K | D | -0.6092 | |
| 191 | T | D | 0.0000 | |
| 192 | M | D | 0.0000 | |
| 193 | L | D | 0.0000 | |
| 194 | C | D | 0.0000 | |
| 195 | V | D | 0.0000 | |
| 196 | W | D | 0.0000 | |
| 197 | W | D | 0.0000 | |
| 198 | D | D | 0.0000 | |
| 199 | Q | D | -0.0407 | |
| 200 | S | D | -0.1280 | |
| 201 | G | D | 0.0000 | |
| 202 | V | D | 0.2410 | |
| 203 | I | D | 0.0000 | |
| 204 | Y | D | 0.3126 | |
| 205 | Y | D | 0.2210 | |
| 206 | E | D | -0.2467 | |
| 207 | L | D | 0.0000 | |
| 208 | L | D | 0.0000 | |
| 209 | K | D | -2.0351 | |
| 210 | R | D | -2.2378 | |
| 211 | G | D | -0.9138 | |
| 212 | E | D | -0.7162 | |
| 213 | T | D | -0.1836 | |
| 214 | V | D | 0.0000 | |
| 215 | N | D | -1.2792 | |
| 216 | T | D | -0.2560 | |
| 217 | A | D | -0.0436 | |
| 218 | R | D | -0.5203 | |
| 219 | Y | D | 0.0000 | |
| 220 | Q | D | -0.4931 | |
| 221 | Q | D | -1.1337 | |
| 222 | Q | D | 0.0000 | |
| 223 | L | D | 0.0000 | |
| 224 | I | D | 0.6656 | |
| 225 | N | D | -0.0774 | |
| 226 | L | D | 0.0000 | |
| 227 | N | D | -0.3852 | |
| 228 | R | D | -1.1169 | |
| 229 | A | D | -0.1912 | |
| 230 | L | D | 0.0000 | |
| 231 | Q | D | -0.8926 | |
| 232 | R | D | -2.1912 | |
| 233 | K | D | -1.8824 | |
| 234 | R | D | -0.4920 | |
| 235 | P | D | -0.1454 | |
| 236 | E | D | 0.0000 | |
| 237 | Y | D | -0.2727 | |
| 238 | Q | D | -1.5305 | |
| 239 | K | D | -2.2425 | |
| 240 | R | D | -2.3482 | |
| 241 | Q | D | -1.5378 | |
| 242 | H | D | 0.0000 | |
| 243 | R | D | -1.3631 | |
| 244 | V | D | 0.0000 | |
| 245 | I | D | 0.0000 | |
| 246 | F | D | 0.0000 | |
| 247 | L | D | 0.0000 | |
| 248 | H | D | 0.0000 | |
| 249 | D | D | -0.7324 | |
| 250 | N | D | -1.3615 | |
| 251 | A | D | -0.2623 | |
| 252 | P | D | -0.2572 | |
| 253 | S | D | -0.0755 | |
| 254 | H | D | 0.0000 | |
| 255 | T | D | -0.0190 | |
| 256 | A | D | -0.3275 | |
| 257 | R | D | -1.8369 | |
| 258 | A | D | -0.3053 | |
| 259 | V | D | 0.0000 | |
| 260 | R | D | -1.3743 | |
| 261 | D | D | -1.9808 | |
| 262 | T | D | -0.3274 | |
| 263 | L | D | 0.0000 | |
| 264 | E | D | -1.9731 | |
| 265 | T | D | -0.3473 | |
| 266 | L | D | 0.0338 | |
| 267 | N | D | -1.4254 | |
| 268 | W | D | 0.0000 | |
| 269 | E | D | -0.2296 | |
| 270 | V | D | 0.8613 | |
| 271 | L | D | 0.0000 | |
| 272 | P | D | -0.1675 | |
| 273 | H | D | -0.1835 | |
| 274 | A | D | 0.0000 | |
| 275 | A | D | 0.1999 | |
| 276 | Y | D | 0.9290 | |
| 277 | S | D | 0.0000 | |
| 278 | P | D | -0.0895 | |
| 279 | D | D | -0.2005 | |
| 280 | L | D | 0.0000 | |
| 281 | A | D | -0.0001 | |
| 282 | P | D | 0.0000 | |
| 283 | S | D | 0.0000 | |
| 284 | D | D | -0.7642 | |
| 285 | Y | D | -0.0022 | |
| 286 | H | D | 0.0000 | |
| 287 | L | D | 0.0000 | |
| 288 | F | D | 0.0000 | |
| 289 | A | D | 0.0184 | |
| 290 | S | D | -0.0387 | |
| 291 | M | D | 0.0000 | |
| 292 | G | D | -0.4451 | |
| 293 | H | D | -1.0347 | |
| 294 | A | D | -0.1599 | |
| 295 | L | D | 0.0000 | |
| 296 | A | D | -0.2630 | |
| 297 | E | D | -1.6163 | |
| 298 | Q | D | -1.0096 | |
| 299 | R | D | -1.8440 | |
| 300 | F | D | 0.0000 | |
| 301 | D | D | -1.8011 | |
| 302 | S | D | -0.3568 | |
| 303 | Y | D | -0.1721 | |
| 304 | E | D | -1.7977 | |
| 305 | S | D | -0.3772 | |
| 306 | V | D | 0.0000 | |
| 307 | K | D | -0.9891 | |
| 308 | K | D | -1.7946 | |
| 309 | W | D | -0.1479 | |
| 310 | L | D | 0.0000 | |
| 311 | D | D | -2.0809 | |
| 312 | E | D | -2.1151 | |
| 313 | W | D | -0.2100 | |
| 314 | F | D | 0.0000 | |
| 315 | A | D | 0.0690 | |
| 316 | A | D | -0.0008 | |
| 317 | K | D | -0.7091 | |
| 318 | D | D | -1.9669 | |
| 319 | D | D | -1.0146 | |
| 320 | E | D | -0.5939 | |
| 321 | F | D | 0.1571 | |
| 322 | Y | D | 0.0000 | |
| 323 | W | D | 0.3541 | |
| 324 | R | D | -1.4690 | |
| 325 | G | D | 0.0000 | |
| 326 | I | D | 0.0000 | |
| 327 | H | D | -0.6021 | |
| 328 | K | D | -0.8247 | |
| 329 | L | D | 0.0000 | |
| 330 | P | D | -0.3537 | |
| 331 | E | D | -1.8828 | |
| 332 | R | D | -0.6522 | |
| 333 | W | D | 0.0000 | |
| 334 | E | D | -2.0589 | |
| 335 | K | D | -1.6413 | |
| 336 | C | D | 0.0000 | |
| 337 | V | D | 0.2540 | |
| 338 | A | D | -0.0346 | |
| 339 | S | D | -0.3623 | |
| 340 | D | D | -1.7991 | |
| 341 | G | D | 0.0000 | |
| 342 | K | D | -1.5859 | |
| 343 | Y | D | -0.0997 | |
| 344 | L | D | -0.0688 | |
| 345 | E | D | -1.7775 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.6101 | 3.4519 | View | CSV | PDB |
| 4.5 | -0.648 | 3.4519 | View | CSV | PDB |
| 5.0 | -0.6953 | 3.4519 | View | CSV | PDB |
| 5.5 | -0.7428 | 3.4519 | View | CSV | PDB |
| 6.0 | -0.7803 | 3.4519 | View | CSV | PDB |
| 6.5 | -0.8002 | 3.4519 | View | CSV | PDB |
| 7.0 | -0.8017 | 3.4519 | View | CSV | PDB |
| 7.5 | -0.7898 | 3.4519 | View | CSV | PDB |
| 8.0 | -0.7697 | 3.4519 | View | CSV | PDB |
| 8.5 | -0.7443 | 3.4519 | View | CSV | PDB |
| 9.0 | -0.7138 | 3.4519 | 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