| Chain sequence(s) |
A: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDELKSTQNAIDKITNKVNSVIELTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSLSQLPRGRQPISDPFAGANDRETGGQATDTPVYNFNSLNNRRYDNYDSDSEDRIDNDQDQAIRENRGEPGQPNNQTSENQQRLNLPVPQCTSGMSSEEFQHSMNQYIRAMHEQYRGSQDDDANDATDGNDISLELVGDFDSHHHHHH
B: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDELKSTQNAIDKITNKVNSVIELTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSLSQLPRGRQPISDPFAGANDRETGGQATDTPVYNFNSLNNRRYDNYDSDSEDRIDNDQDQAIRENRGEPGQPNNQTSENQQRLNLPVPQCTSGMSSEEFQHSMNQYIRAMHEQYRGSQDDDANDATDGNDISLELVGDFDSHHHHHH input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage |
A: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDELKSTQNAIDKITNKVNSVIELTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSLSQLPRGRQPISDPFAGANDRE TGGQATDTPVYNFNSLNNRRYDNYDSDSEDRIDNDQDQAIRENRGEPGQPNNQTSENQQRLN LPVPQCTSGMSSEEFQHSMNQYIRAMHEQYRGSQDDDANDATDGNDISLELVGDFDSHHHHHH B: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDELKSTQNAIDKITNKVNSVIELTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSLSQLPRGRQPISDPFAGANDRETGGQATDTPVYNFNSLNNRRYDNYDSDSEDRIDNDQDQAIRENR GEPGQPNNQTSENQQRLN LPVPQCTSGMSSEEFQHSMNQYIRAMHEQYRGSQDDDANDATDGNDISLELVGDFDSHHHHHH (Red indicates removed residues) |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB: Running AlphaCutter (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:18)
[INFO] FoldX: Starting FoldX energy minimization (00:00:18)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:21:57)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/34449084f5320e1/tmp/folded.pdb (00:21:57)
[INFO] Main: Simulation completed successfully. (00:29:02)
|
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 | S | A | -0.4557 | |
| 2 | S | A | -0.4684 | |
| 3 | V | A | -0.2866 | |
| 4 | L | A | -0.5126 | |
| 5 | K | A | -1.6445 | |
| 6 | T | A | -1.0885 | |
| 7 | F | A | -0.8676 | |
| 8 | E | A | -1.7009 | |
| 9 | R | A | -2.3638 | |
| 10 | F | A | 0.0000 | |
| 11 | T | A | -1.2779 | |
| 12 | I | A | -0.9842 | |
| 13 | Q | A | -1.5443 | |
| 14 | Q | A | -1.2369 | |
| 15 | E | A | -0.7669 | |
| 16 | L | A | -0.3539 | |
| 17 | Q | A | -1.3402 | |
| 18 | E | A | -1.3924 | |
| 19 | Q | A | -1.6841 | |
| 20 | S | A | -1.9936 | |
| 21 | E | A | -2.8164 | |
| 22 | D | A | -2.5786 | |
| 23 | T | A | 0.0000 | |
| 24 | P | A | 0.0271 | |
| 25 | I | A | 1.1587 | |
| 26 | P | A | 0.5186 | |
| 27 | L | A | -0.3127 | |
| 28 | E | A | -1.8070 | |
| 29 | T | A | 0.0000 | |
| 30 | I | A | 0.0000 | |
| 31 | R | A | -2.4311 | |
| 32 | P | A | -1.2363 | |
| 33 | T | A | -0.9171 | |
| 34 | I | A | 0.0000 | |
| 35 | R | A | -0.7706 | |
| 36 | V | A | 0.0000 | |
| 37 | F | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | N | A | -2.3420 | |
| 41 | N | A | -2.6927 | |
| 42 | N | A | -2.4020 | |
| 43 | D | A | -2.1039 | |
| 44 | P | A | -1.5328 | |
| 45 | V | A | -0.2384 | |
| 46 | V | A | -0.3391 | |
| 47 | R | A | 0.0000 | |
| 48 | S | A | 0.0000 | |
| 49 | R | A | -0.1493 | |
| 50 | L | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | F | A | 0.0000 | |
| 53 | F | A | 0.0000 | |
| 54 | N | A | 0.0000 | |
| 55 | L | A | 0.0000 | |
| 56 | R | A | -0.9398 | |
| 57 | I | A | 0.0000 | |
| 58 | I | A | 0.0000 | |
| 59 | M | A | 0.0000 | |
| 60 | S | A | 0.0000 | |
| 61 | N | A | -1.9370 | |
| 62 | T | A | -1.3007 | |
| 63 | A | A | 0.0000 | |
| 64 | R | A | -2.3376 | |
| 65 | E | A | -2.5462 | |
| 66 | G | A | -1.5668 | |
| 67 | H | A | -1.3418 | |
| 68 | R | A | -1.3855 | |
| 69 | A | A | 0.0000 | |
| 70 | G | A | 0.0000 | |
| 71 | A | A | 0.0000 | |
| 72 | L | A | 0.0000 | |
| 73 | L | A | 0.0000 | |
| 74 | S | A | 0.0000 | |
| 75 | L | A | 0.0000 | |
| 76 | L | A | 0.0000 | |
| 77 | S | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | P | A | -0.2532 | |
| 80 | S | A | -0.3700 | |
| 81 | A | A | -0.8126 | |
| 82 | A | A | -1.0483 | |
| 83 | M | A | 0.0000 | |
| 84 | S | A | -1.4502 | |
| 85 | N | A | -1.8195 | |
| 86 | H | A | -1.1815 | |
| 87 | I | A | 0.0000 | |
| 88 | K | A | -1.9514 | |
| 89 | L | A | -0.7796 | |
| 90 | A | A | 0.0000 | |
| 91 | M | A | -0.4577 | |
| 92 | H | A | -0.5919 | |
| 93 | S | A | 0.0000 | |
| 94 | P | A | -1.0071 | |
| 95 | E | A | -1.1711 | |
| 96 | A | A | 0.0000 | |
| 97 | S | A | -0.8687 | |
| 98 | I | A | -0.7903 | |
| 99 | D | A | -0.8185 | |
| 100 | R | A | -1.2795 | |
| 101 | V | A | 0.0000 | |
| 102 | E | A | -1.0065 | |
| 103 | I | A | 0.0000 | |
| 104 | T | A | -0.5325 | |
| 105 | G | A | 0.0000 | |
| 106 | F | A | -0.7973 | |
| 107 | E | A | -1.9713 | |
| 108 | N | A | -2.4335 | |
| 109 | N | A | -2.4881 | |
| 110 | S | A | -1.7641 | |
| 111 | F | A | -1.0472 | |
| 112 | R | A | -1.0427 | |
| 113 | V | A | 0.0000 | |
| 114 | I | A | 0.0739 | |
| 115 | P | A | -0.4392 | |
| 116 | D | A | -0.7305 | |
| 117 | A | A | -0.9147 | |
| 118 | R | A | -1.9753 | |
| 119 | T | A | -1.1999 | |
| 120 | S | A | -0.8077 | |
| 121 | T | A | -0.7940 | |
| 122 | M | A | -0.7405 | |
| 123 | S | A | -1.3265 | |
| 124 | R | A | -2.1105 | |
| 125 | G | A | -1.5252 | |
| 126 | E | A | -1.2869 | |
| 127 | V | A | 0.0000 | |
| 128 | L | A | -0.3586 | |
| 129 | A | A | -0.5611 | |
| 130 | F | A | 0.0000 | |
| 131 | E | A | -0.8096 | |
| 132 | A | A | -0.7870 | |
| 133 | L | A | -1.0932 | |
| 134 | A | A | 0.0000 | |
| 135 | E | A | -2.4793 | |
| 136 | D | A | -2.2756 | |
| 137 | I | A | 0.0000 | |
| 138 | P | A | -1.8241 | |
| 139 | D | A | -1.7139 | |
| 140 | E | A | -1.8249 | |
| 141 | L | A | -0.8093 | |
| 142 | K | A | -2.0534 | |
| 143 | S | A | -1.4601 | |
| 144 | T | A | -1.2200 | |
| 145 | Q | A | -1.8690 | |
| 146 | N | A | -2.0996 | |
| 147 | A | A | -0.9053 | |
| 148 | I | A | 0.3452 | |
| 149 | D | A | -1.9136 | |
| 150 | K | A | -2.2400 | |
| 151 | I | A | 0.1327 | |
| 152 | T | A | -0.9412 | |
| 153 | N | A | -2.2563 | |
| 154 | K | A | -2.1716 | |
| 155 | V | A | -0.3570 | |
| 156 | N | A | -0.2372 | |
| 157 | S | A | 0.5078 | |
| 158 | V | A | 2.1098 | |
| 159 | I | A | 2.1972 | |
| 160 | E | A | 0.2288 | |
| 161 | L | A | 1.0349 | |
| 162 | T | A | 0.0000 | |
| 163 | L | A | 0.0000 | |
| 164 | N | A | -1.6326 | |
| 165 | H | A | -1.7178 | |
| 166 | Q | A | -1.9875 | |
| 167 | T | A | -0.9763 | |
| 168 | P | A | 0.0000 | |
| 169 | F | A | 0.0000 | |
| 170 | V | A | 0.5868 | |
| 171 | N | A | -0.3125 | |
| 172 | L | A | -0.5697 | |
| 173 | Q | A | -1.4083 | |
| 174 | N | A | -1.9562 | |
| 175 | D | A | -2.4567 | |
| 176 | V | A | 0.0000 | |
| 177 | E | A | -1.4560 | |
| 178 | D | A | -2.2639 | |
| 179 | D | A | -0.8437 | |
| 180 | I | A | 0.6471 | |
| 181 | F | A | 0.0000 | |
| 182 | D | A | -2.2466 | |
| 183 | E | A | -2.8758 | |
| 184 | T | A | -2.5052 | |
| 185 | E | A | -2.9612 | |
| 186 | K | A | -2.3121 | |
| 187 | F | A | 0.0000 | |
| 188 | L | A | -1.2010 | |
| 189 | D | A | -1.5925 | |
| 190 | V | A | 0.0000 | |
| 191 | C | A | 0.0000 | |
| 192 | Y | A | 0.0000 | |
| 193 | S | A | 0.0000 | |
| 194 | V | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | M | A | 0.0000 | |
| 197 | Q | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | W | A | 0.0000 | |
| 200 | I | A | 0.0000 | |
| 201 | V | A | 0.0000 | |
| 202 | T | A | 0.0000 | |
| 203 | C | A | -0.2064 | |
| 204 | K | A | -0.6820 | |
| 205 | C | A | 0.0000 | |
| 206 | M | A | -0.5765 | |
| 207 | T | A | -0.6133 | |
| 208 | A | A | -1.3656 | |
| 209 | P | A | -1.4513 | |
| 210 | D | A | -2.5939 | |
| 211 | Q | A | -1.8994 | |
| 212 | P | A | -0.5565 | |
| 213 | P | A | -0.2510 | |
| 214 | V | A | 1.0307 | |
| 215 | S | A | 0.0150 | |
| 216 | V | A | -0.1666 | |
| 217 | A | A | -0.4159 | |
| 218 | K | A | -1.6235 | |
| 219 | R | A | -1.3769 | |
| 220 | M | A | 0.0000 | |
| 221 | A | A | -1.6855 | |
| 222 | K | A | -2.2698 | |
| 223 | Y | A | 0.0000 | |
| 224 | Q | A | -2.1581 | |
| 225 | Q | A | -2.5858 | |
| 226 | Q | A | -2.5998 | |
| 227 | G | A | -2.2226 | |
| 228 | R | A | -2.2765 | |
| 229 | I | A | 0.0000 | |
| 230 | N | A | -0.9556 | |
| 231 | A | A | -0.1813 | |
| 232 | C | A | 0.5233 | |
| 233 | R | A | -0.2239 | |
| 234 | Y | A | 0.0000 | |
| 235 | V | A | 0.3870 | |
| 236 | L | A | 0.0000 | |
| 237 | Q | A | 0.0000 | |
| 238 | P | A | -0.1570 | |
| 239 | E | A | -0.5357 | |
| 240 | A | A | 0.0000 | |
| 241 | Q | A | -0.5240 | |
| 242 | R | A | -0.5912 | |
| 243 | L | A | -0.0732 | |
| 244 | I | A | 0.0000 | |
| 245 | Q | A | 0.0000 | |
| 246 | N | A | -0.8599 | |
| 247 | A | A | 0.0000 | |
| 248 | I | A | 0.0000 | |
| 249 | R | A | -1.0701 | |
| 250 | K | A | -1.8263 | |
| 251 | S | A | 0.0000 | |
| 252 | M | A | 0.0000 | |
| 253 | V | A | 0.0000 | |
| 254 | V | A | 0.0000 | |
| 255 | R | A | 0.0000 | |
| 256 | H | A | 0.0000 | |
| 257 | F | A | 0.0000 | |
| 258 | M | A | 0.0000 | |
| 259 | T | A | 0.0000 | |
| 260 | Y | A | 0.3165 | |
| 261 | E | A | 0.0000 | |
| 262 | L | A | 0.0000 | |
| 263 | Q | A | -0.1724 | |
| 264 | L | A | 0.0894 | |
| 265 | S | A | -0.6518 | |
| 266 | Q | A | -1.2237 | |
| 267 | S | A | -0.8775 | |
| 268 | R | A | -1.4664 | |
| 269 | S | A | -0.0666 | |
| 270 | L | A | 1.5273 | |
| 271 | L | A | 1.4964 | |
| 272 | A | A | -0.0720 | |
| 273 | N | A | -1.5482 | |
| 274 | R | A | -2.2664 | |
| 275 | Y | A | 0.0000 | |
| 276 | Y | A | -0.7765 | |
| 277 | A | A | -0.8288 | |
| 278 | M | A | 0.0000 | |
| 279 | V | A | 0.0000 | |
| 280 | G | A | -1.2239 | |
| 281 | D | A | -1.5697 | |
| 282 | I | A | 0.0000 | |
| 283 | G | A | 0.0000 | |
| 284 | K | A | -1.9529 | |
| 285 | Y | A | -0.6903 | |
| 286 | I | A | 0.0000 | |
| 287 | E | A | 0.0000 | |
| 288 | H | A | -0.6450 | |
| 289 | S | A | -0.6590 | |
| 290 | G | A | -0.4647 | |
| 291 | M | A | 0.0000 | |
| 292 | G | A | -0.0640 | |
| 293 | G | A | 0.0000 | |
| 294 | F | A | 0.0000 | |
| 295 | F | A | 0.3686 | |
| 296 | L | A | -0.0135 | |
| 297 | T | A | 0.0000 | |
| 298 | L | A | -0.4063 | |
| 299 | K | A | -1.5463 | |
| 300 | Y | A | 0.0000 | |
| 301 | G | A | 0.0000 | |
| 302 | L | A | -0.6972 | |
| 303 | G | A | -1.3089 | |
| 304 | T | A | -1.1864 | |
| 305 | R | A | -1.7412 | |
| 306 | W | A | -0.7165 | |
| 307 | P | A | -1.0078 | |
| 308 | T | A | 0.0000 | |
| 309 | L | A | 0.0000 | |
| 310 | A | A | 0.0000 | |
| 311 | L | A | 0.0000 | |
| 312 | A | A | 0.0000 | |
| 313 | A | A | 0.0000 | |
| 314 | F | A | 0.0000 | |
| 315 | S | A | 0.0000 | |
| 316 | G | A | -0.3680 | |
| 317 | E | A | 0.0000 | |
| 318 | L | A | -0.1853 | |
| 319 | Q | A | -0.6983 | |
| 320 | K | A | -0.5936 | |
| 321 | L | A | 0.0000 | |
| 322 | K | A | -0.7095 | |
| 323 | A | A | 0.0000 | |
| 324 | L | A | 0.0000 | |
| 325 | M | A | 0.1859 | |
| 326 | L | A | 0.3595 | |
| 327 | H | A | 0.0000 | |
| 328 | Y | A | -0.2352 | |
| 329 | Q | A | -0.8890 | |
| 330 | S | A | -0.5126 | |
| 331 | L | A | 0.0000 | |
| 332 | G | A | -0.6231 | |
| 333 | P | A | -0.6554 | |
| 334 | M | A | -0.3169 | |
| 335 | A | A | 0.0000 | |
| 336 | K | A | -0.9615 | |
| 337 | Y | A | 0.0000 | |
| 338 | M | A | 0.0000 | |
| 339 | A | A | 0.0000 | |
| 340 | L | A | 0.0000 | |
| 341 | L | A | 0.0000 | |
| 342 | E | A | -0.2615 | |
| 343 | S | A | 0.0000 | |
| 344 | P | A | 0.0000 | |
| 345 | K | A | 0.0000 | |
| 346 | L | A | 0.2035 | |
| 347 | M | A | 0.2431 | |
| 348 | D | A | -0.0460 | |
| 349 | F | A | 0.0000 | |
| 350 | V | A | 0.1500 | |
| 351 | P | A | 0.0000 | |
| 352 | S | A | -0.7756 | |
| 353 | E | A | -0.5795 | |
| 354 | Y | A | 0.0000 | |
| 355 | P | A | 0.0000 | |
| 356 | L | A | 0.0000 | |
| 357 | V | A | 0.0000 | |
| 358 | Y | A | 0.0000 | |
| 359 | S | A | 0.0000 | |
| 360 | Y | A | 0.0000 | |
| 361 | A | A | 0.0000 | |
| 362 | M | A | 0.0000 | |
| 363 | G | A | 0.0000 | |
| 364 | I | A | 0.0000 | |
| 365 | G | A | 0.0000 | |
| 366 | T | A | 0.0000 | |
| 367 | V | A | -0.0849 | |
| 368 | L | A | 0.0668 | |
| 369 | D | A | -0.7296 | |
| 370 | T | A | -1.2487 | |
| 371 | N | A | -2.0700 | |
| 372 | M | A | 0.0000 | |
| 373 | R | A | -2.1064 | |
| 374 | N | A | -2.1589 | |
| 375 | Y | A | -0.9985 | |
| 376 | A | A | -0.3594 | |
| 377 | Y | A | -0.0854 | |
| 378 | G | A | -0.4323 | |
| 379 | R | A | -1.2424 | |
| 380 | S | A | -1.0387 | |
| 381 | Y | A | -0.5636 | |
| 382 | L | A | 0.0000 | |
| 383 | N | A | 0.0000 | |
| 384 | P | A | -0.1539 | |
| 385 | Q | A | -0.6745 | |
| 386 | Y | A | 0.0000 | |
| 387 | F | A | 0.0000 | |
| 388 | Q | A | -0.7570 | |
| 389 | L | A | 0.0000 | |
| 390 | G | A | 0.0000 | |
| 391 | V | A | -0.5654 | |
| 392 | E | A | -1.2562 | |
| 393 | T | A | 0.0000 | |
| 394 | A | A | 0.0000 | |
| 395 | R | A | -2.4026 | |
| 396 | K | A | -2.5956 | |
| 397 | Q | A | -1.6903 | |
| 398 | Q | A | -1.2304 | |
| 399 | G | A | 0.0000 | |
| 400 | A | A | -0.8769 | |
| 401 | V | A | -1.3632 | |
| 402 | D | A | -2.5390 | |
| 403 | N | A | -3.0121 | |
| 404 | R | A | -3.6300 | |
| 405 | T | A | -2.4770 | |
| 406 | A | A | 0.0000 | |
| 407 | E | A | -3.4471 | |
| 408 | D | A | -2.8101 | |
| 409 | L | A | -0.6564 | |
| 410 | G | A | -1.3621 | |
| 411 | M | A | -1.0975 | |
| 412 | T | A | -0.7961 | |
| 413 | A | A | -0.7987 | |
| 414 | A | A | -0.8652 | |
| 415 | D | A | -1.5301 | |
| 416 | K | A | -1.3089 | |
| 417 | A | A | -1.0277 | |
| 418 | D | A | -1.8883 | |
| 419 | L | A | -0.8493 | |
| 420 | T | A | -0.8601 | |
| 421 | A | A | -0.8557 | |
| 422 | T | A | -0.3122 | |
| 423 | I | A | -0.1901 | |
| 424 | S | A | -0.6149 | |
| 425 | K | A | -0.4290 | |
| 426 | L | A | 0.8047 | |
| 427 | S | A | 0.2115 | |
| 428 | L | A | 1.3435 | |
| 429 | S | A | 0.4052 | |
| 430 | Q | A | -0.5778 | |
| 431 | L | A | 0.3407 | |
| 432 | P | A | -1.2853 | |
| 433 | R | A | -2.6850 | |
| 434 | G | A | -2.4987 | |
| 435 | R | A | -2.7694 | |
| 436 | Q | A | -2.1631 | |
| 437 | P | A | -0.8041 | |
| 438 | I | A | 0.3797 | |
| 439 | S | A | -0.0939 | |
| 440 | D | A | -0.0869 | |
| 441 | P | A | 0.4990 | |
| 442 | F | A | 1.2928 | |
| 443 | A | A | 0.0072 | |
| 444 | G | A | -0.7789 | |
| 445 | A | A | -1.4665 | |
| 446 | N | A | -3.0197 | |
| 447 | D | A | -3.8828 | |
| 448 | R | A | -3.8862 | |
| 449 | E | A | -3.4374 | |
| 512 | L | A | 1.5892 | |
| 513 | P | A | 0.5536 | |
| 514 | V | A | 0.4577 | |
| 515 | P | A | -0.2934 | |
| 516 | Q | A | -1.5251 | |
| 517 | C | A | 0.0000 | |
| 518 | T | A | -0.8153 | |
| 519 | S | A | -0.7760 | |
| 520 | G | A | -0.6744 | |
| 521 | M | A | -1.0227 | |
| 522 | S | A | -1.3924 | |
| 523 | S | A | -2.0124 | |
| 524 | E | A | -3.2230 | |
| 525 | E | A | -3.2314 | |
| 526 | F | A | 0.0000 | |
| 527 | Q | A | -2.3928 | |
| 528 | H | A | -2.7663 | |
| 529 | S | A | -2.2089 | |
| 530 | M | A | 0.0000 | |
| 531 | N | A | -2.1943 | |
| 532 | Q | A | -2.6382 | |
| 533 | Y | A | -1.3569 | |
| 534 | I | A | 0.0000 | |
| 535 | R | A | -3.3608 | |
| 536 | A | A | -2.5192 | |
| 537 | M | A | 0.0000 | |
| 538 | H | A | -2.6876 | |
| 539 | E | A | -3.9161 | |
| 540 | Q | A | -3.0323 | |
| 541 | Y | A | -2.0746 | |
| 542 | R | A | -3.7454 | |
| 543 | G | A | -3.5249 | |
| 544 | S | A | -2.5107 | |
| 545 | Q | A | -3.1557 | |
| 546 | D | A | -3.4072 | |
| 547 | D | A | -3.7268 | |
| 548 | D | A | -3.1829 | |
| 549 | A | A | -2.3549 | |
| 550 | N | A | -3.1820 | |
| 551 | D | A | -3.2135 | |
| 552 | A | A | -1.7896 | |
| 553 | T | A | -0.8263 | |
| 1 | S | B | 0.0092 | |
| 2 | S | B | 0.6045 | |
| 3 | V | B | 1.9420 | |
| 4 | L | B | 1.4730 | |
| 5 | K | B | -0.6666 | |
| 6 | T | B | 0.1541 | |
| 7 | F | B | 0.7186 | |
| 8 | E | B | -0.7130 | |
| 9 | R | B | -1.3832 | |
| 10 | F | B | 0.3383 | |
| 11 | T | B | 0.0000 | |
| 12 | I | B | -0.8420 | |
| 13 | Q | B | -1.9858 | |
| 14 | Q | B | -2.2786 | |
| 15 | E | B | -1.8156 | |
| 16 | L | B | -1.6369 | |
| 17 | Q | B | -2.9227 | |
| 18 | E | B | -3.5134 | |
| 19 | Q | B | -2.7234 | |
| 20 | S | B | -2.8559 | |
| 21 | E | B | -3.0900 | |
| 22 | D | B | -2.7478 | |
| 23 | T | B | -1.6851 | |
| 24 | P | B | 0.1139 | |
| 25 | I | B | 1.3443 | |
| 26 | P | B | 0.8774 | |
| 27 | L | B | 1.2213 | |
| 28 | E | B | -0.8744 | |
| 29 | T | B | -0.3631 | |
| 30 | I | B | 0.4950 | |
| 31 | R | B | -1.6503 | |
| 32 | P | B | -1.0012 | |
| 33 | T | B | -0.9553 | |
| 34 | I | B | 0.0000 | |
| 35 | R | B | -1.0548 | |
| 36 | V | B | 0.0000 | |
| 37 | F | B | 0.0000 | |
| 38 | V | B | 0.0000 | |
| 39 | I | B | 0.0000 | |
| 40 | N | B | -2.3012 | |
| 41 | N | B | -2.6011 | |
| 42 | N | B | -2.3628 | |
| 43 | D | B | -1.9303 | |
| 44 | P | B | -1.1518 | |
| 45 | V | B | -0.2410 | |
| 46 | V | B | 0.0000 | |
| 47 | R | B | 0.0000 | |
| 48 | S | B | 0.0000 | |
| 49 | R | B | -0.6868 | |
| 50 | L | B | 0.0000 | |
| 51 | L | B | 0.0000 | |
| 52 | F | B | 0.0000 | |
| 53 | F | B | 0.0000 | |
| 54 | N | B | 0.0000 | |
| 55 | L | B | 0.0000 | |
| 56 | R | B | -0.9649 | |
| 57 | I | B | 0.0000 | |
| 58 | I | B | 0.0000 | |
| 59 | M | B | 0.0000 | |
| 60 | S | B | 0.0000 | |
| 61 | N | B | -2.0165 | |
| 62 | T | B | -1.5108 | |
| 63 | A | B | 0.0000 | |
| 64 | R | B | -3.1577 | |
| 65 | E | B | -3.3975 | |
| 66 | G | B | -2.2545 | |
| 67 | H | B | -1.8218 | |
| 68 | R | B | -1.8932 | |
| 69 | A | B | 0.0000 | |
| 70 | G | B | 0.0000 | |
| 71 | A | B | 0.0000 | |
| 72 | L | B | 0.0000 | |
| 73 | L | B | 0.0000 | |
| 74 | S | B | 0.0000 | |
| 75 | L | B | 0.0000 | |
| 76 | L | B | 0.0000 | |
| 77 | S | B | 0.0000 | |
| 78 | L | B | 0.0000 | |
| 79 | P | B | 0.0000 | |
| 80 | S | B | 0.0000 | |
| 81 | A | B | -1.4852 | |
| 82 | A | B | -1.1266 | |
| 83 | M | B | 0.0000 | |
| 84 | S | B | -1.1827 | |
| 85 | N | B | -1.0508 | |
| 86 | H | B | 0.0000 | |
| 87 | I | B | 0.0000 | |
| 88 | K | B | -1.4763 | |
| 89 | L | B | -0.6127 | |
| 90 | A | B | 0.0000 | |
| 91 | M | B | -0.6761 | |
| 92 | H | B | -1.1557 | |
| 93 | S | B | 0.0000 | |
| 94 | P | B | -1.3009 | |
| 95 | E | B | -1.7384 | |
| 96 | A | B | 0.0000 | |
| 97 | S | B | -1.0446 | |
| 98 | I | B | 0.0000 | |
| 99 | D | B | -1.2262 | |
| 100 | R | B | -1.8581 | |
| 101 | V | B | 0.0000 | |
| 102 | E | B | -1.2280 | |
| 103 | I | B | 0.0000 | |
| 104 | T | B | -0.5277 | |
| 105 | G | B | 0.0000 | |
| 106 | F | B | -0.8682 | |
| 107 | E | B | -1.8337 | |
| 108 | N | B | -2.3597 | |
| 109 | N | B | -2.4918 | |
| 110 | S | B | -1.7557 | |
| 111 | F | B | -1.0597 | |
| 112 | R | B | -0.9228 | |
| 113 | V | B | 0.0000 | |
| 114 | I | B | 0.1255 | |
| 115 | P | B | -0.4396 | |
| 116 | D | B | -0.7579 | |
| 117 | A | B | -0.9374 | |
| 118 | R | B | -1.9870 | |
| 119 | T | B | -1.2853 | |
| 120 | S | B | -0.9127 | |
| 121 | T | B | -0.9155 | |
| 122 | M | B | -0.7371 | |
| 123 | S | B | -1.3122 | |
| 124 | R | B | -2.0903 | |
| 125 | G | B | -1.4978 | |
| 126 | E | B | -1.2382 | |
| 127 | V | B | 0.0000 | |
| 128 | L | B | -0.3548 | |
| 129 | A | B | -0.3723 | |
| 130 | F | B | 0.0000 | |
| 131 | E | B | -0.7935 | |
| 132 | A | B | -0.7605 | |
| 133 | L | B | -1.1637 | |
| 134 | A | B | 0.0000 | |
| 135 | E | B | -2.4749 | |
| 136 | D | B | -2.2258 | |
| 137 | I | B | 0.0000 | |
| 138 | P | B | -2.0275 | |
| 139 | D | B | -2.0022 | |
| 140 | E | B | -2.3617 | |
| 141 | L | B | -0.9839 | |
| 142 | K | B | -2.2209 | |
| 143 | S | B | -2.1284 | |
| 144 | T | B | -1.3929 | |
| 145 | Q | B | -2.1995 | |
| 146 | N | B | -2.1828 | |
| 147 | A | B | -0.9413 | |
| 148 | I | B | 0.4205 | |
| 149 | D | B | -1.9522 | |
| 150 | K | B | -2.2209 | |
| 151 | I | B | 0.4511 | |
| 152 | T | B | -0.7316 | |
| 153 | N | B | -2.1104 | |
| 154 | K | B | -1.5348 | |
| 155 | V | B | 0.5437 | |
| 156 | N | B | -0.2149 | |
| 157 | S | B | 0.5193 | |
| 158 | V | B | 1.9871 | |
| 159 | I | B | 1.9166 | |
| 160 | E | B | -0.2091 | |
| 161 | L | B | 0.1513 | |
| 162 | T | B | -1.1514 | |
| 163 | L | B | 0.0000 | |
| 164 | N | B | -1.5013 | |
| 165 | H | B | -1.8095 | |
| 166 | Q | B | -2.0094 | |
| 167 | T | B | -1.0531 | |
| 168 | P | B | 0.0000 | |
| 169 | F | B | 0.0000 | |
| 170 | V | B | 0.5606 | |
| 171 | N | B | -0.4652 | |
| 172 | L | B | -0.7626 | |
| 173 | Q | B | -1.4921 | |
| 174 | N | B | -2.0541 | |
| 175 | D | B | -2.8232 | |
| 176 | V | B | 0.0000 | |
| 177 | E | B | -1.7312 | |
| 178 | D | B | -2.4612 | |
| 179 | D | B | -0.9170 | |
| 180 | I | B | 0.7473 | |
| 181 | F | B | 0.0000 | |
| 182 | D | B | -1.5578 | |
| 183 | E | B | -1.4425 | |
| 184 | T | B | -1.5801 | |
| 185 | E | B | -1.9685 | |
| 186 | K | B | -1.4817 | |
| 187 | F | B | 0.0000 | |
| 188 | L | B | -0.6932 | |
| 189 | D | B | -1.1347 | |
| 190 | V | B | 0.0000 | |
| 191 | C | B | 0.0000 | |
| 192 | Y | B | 0.0000 | |
| 193 | S | B | 0.0000 | |
| 194 | V | B | 0.0000 | |
| 195 | L | B | 0.0000 | |
| 196 | M | B | 0.0000 | |
| 197 | Q | B | 0.0000 | |
| 198 | A | B | 0.0000 | |
| 199 | W | B | 0.0000 | |
| 200 | I | B | 0.0000 | |
| 201 | V | B | 0.0000 | |
| 202 | T | B | 0.0000 | |
| 203 | C | B | 0.0000 | |
| 204 | K | B | 0.0000 | |
| 205 | C | B | 0.0000 | |
| 206 | M | B | -0.5686 | |
| 207 | T | B | -0.6243 | |
| 208 | A | B | -1.2020 | |
| 209 | P | B | -1.2664 | |
| 210 | D | B | -1.9737 | |
| 211 | Q | B | -1.2519 | |
| 212 | P | B | -0.2728 | |
| 213 | P | B | 0.1186 | |
| 214 | V | B | 1.2888 | |
| 215 | S | B | 0.2109 | |
| 216 | V | B | 0.2594 | |
| 217 | A | B | 0.0616 | |
| 218 | K | B | -0.8441 | |
| 219 | R | B | 0.0000 | |
| 220 | M | B | 0.0000 | |
| 221 | A | B | -0.8258 | |
| 222 | K | B | -1.1628 | |
| 223 | Y | B | 0.0000 | |
| 224 | Q | B | -1.2066 | |
| 225 | Q | B | -1.3792 | |
| 226 | Q | B | -1.3856 | |
| 227 | G | B | -1.4799 | |
| 228 | R | B | 0.0000 | |
| 229 | I | B | 0.0000 | |
| 230 | N | B | -0.7342 | |
| 231 | A | B | -0.1062 | |
| 232 | C | B | 0.4007 | |
| 233 | R | B | -0.4572 | |
| 234 | Y | B | 0.0000 | |
| 235 | V | B | 0.3361 | |
| 236 | L | B | 0.0000 | |
| 237 | Q | B | 0.0000 | |
| 238 | P | B | -0.2042 | |
| 239 | E | B | -0.7341 | |
| 240 | A | B | 0.0000 | |
| 241 | Q | B | -0.6156 | |
| 242 | R | B | -0.9309 | |
| 243 | L | B | -0.4179 | |
| 244 | I | B | 0.0000 | |
| 245 | Q | B | -0.9910 | |
| 246 | N | B | -1.5183 | |
| 247 | A | B | 0.0000 | |
| 248 | I | B | 0.0000 | |
| 249 | R | B | -1.7396 | |
| 250 | K | B | -2.5079 | |
| 251 | S | B | 0.0000 | |
| 252 | M | B | -0.8937 | |
| 253 | V | B | 0.0000 | |
| 254 | V | B | 0.0000 | |
| 255 | R | B | 0.0000 | |
| 256 | H | B | -0.2574 | |
| 257 | F | B | 0.0000 | |
| 258 | M | B | 0.0000 | |
| 259 | T | B | 0.0000 | |
| 260 | Y | B | 0.2702 | |
| 261 | E | B | 0.0000 | |
| 262 | L | B | 0.0000 | |
| 263 | Q | B | -0.0993 | |
| 264 | L | B | 0.0000 | |
| 265 | S | B | 0.0000 | |
| 266 | Q | B | -0.5431 | |
| 267 | S | B | 0.0000 | |
| 268 | R | B | -1.2713 | |
| 269 | S | B | -0.1646 | |
| 270 | L | B | 0.0000 | |
| 271 | L | B | -0.1448 | |
| 272 | A | B | -0.2600 | |
| 273 | N | B | 0.0000 | |
| 274 | R | B | -0.6481 | |
| 275 | Y | B | 0.0000 | |
| 276 | Y | B | 0.0000 | |
| 277 | A | B | 0.0000 | |
| 278 | M | B | 0.0000 | |
| 279 | V | B | 0.0000 | |
| 280 | G | B | 0.0000 | |
| 281 | D | B | 0.0000 | |
| 282 | I | B | 0.0000 | |
| 283 | G | B | 0.0000 | |
| 284 | K | B | 0.0000 | |
| 285 | Y | B | -0.2685 | |
| 286 | I | B | 0.0000 | |
| 287 | E | B | 0.0000 | |
| 288 | H | B | -0.3114 | |
| 289 | S | B | -0.4116 | |
| 290 | G | B | -0.3846 | |
| 291 | M | B | 0.0000 | |
| 292 | G | B | -0.0968 | |
| 293 | G | B | 0.0000 | |
| 294 | F | B | 0.0000 | |
| 295 | F | B | 0.1245 | |
| 296 | L | B | 0.0000 | |
| 297 | T | B | 0.0000 | |
| 298 | L | B | 0.0000 | |
| 299 | K | B | -0.3269 | |
| 300 | Y | B | 0.0000 | |
| 301 | G | B | 0.0000 | |
| 302 | L | B | 0.0000 | |
| 303 | G | B | 0.0000 | |
| 304 | T | B | 0.0000 | |
| 305 | R | B | -0.5374 | |
| 306 | W | B | 0.0000 | |
| 307 | P | B | -0.2048 | |
| 308 | T | B | 0.1466 | |
| 309 | L | B | 0.2579 | |
| 310 | A | B | 0.3638 | |
| 311 | L | B | 0.7375 | |
| 312 | A | B | 0.3760 | |
| 313 | A | B | 0.2731 | |
| 314 | F | B | 0.0000 | |
| 315 | S | B | 0.0563 | |
| 316 | G | B | -0.1810 | |
| 317 | E | B | -0.5790 | |
| 318 | L | B | -0.1824 | |
| 319 | Q | B | -0.4048 | |
| 320 | K | B | -0.8896 | |
| 321 | L | B | 0.0000 | |
| 322 | K | B | 0.0000 | |
| 323 | A | B | 0.0000 | |
| 324 | L | B | 0.0000 | |
| 325 | M | B | 0.0000 | |
| 326 | L | B | 0.1395 | |
| 327 | H | B | 0.0000 | |
| 328 | Y | B | 0.0000 | |
| 329 | Q | B | -0.7341 | |
| 330 | S | B | -0.6445 | |
| 331 | L | B | -0.4022 | |
| 332 | G | B | -0.4584 | |
| 333 | P | B | -0.4298 | |
| 334 | M | B | 0.1217 | |
| 335 | A | B | 0.0000 | |
| 336 | K | B | -0.3858 | |
| 337 | Y | B | 0.0000 | |
| 338 | M | B | 0.0000 | |
| 339 | A | B | 0.0000 | |
| 340 | L | B | 0.0000 | |
| 341 | L | B | -0.7537 | |
| 342 | E | B | -1.6992 | |
| 343 | S | B | -0.9895 | |
| 344 | P | B | -0.7089 | |
| 345 | K | B | -0.8091 | |
| 346 | L | B | -0.1966 | |
| 347 | M | B | 0.2040 | |
| 348 | D | B | -0.7233 | |
| 349 | F | B | 0.0000 | |
| 350 | V | B | 0.0785 | |
| 351 | P | B | 0.0000 | |
| 352 | S | B | -0.5996 | |
| 353 | E | B | -1.2644 | |
| 354 | Y | B | 0.0000 | |
| 355 | P | B | -0.3581 | |
| 356 | L | B | -0.2005 | |
| 357 | V | B | 0.0000 | |
| 358 | Y | B | 0.0000 | |
| 359 | S | B | 0.0000 | |
| 360 | Y | B | 0.0000 | |
| 361 | A | B | 0.0000 | |
| 362 | M | B | 0.0000 | |
| 363 | G | B | 0.0000 | |
| 364 | I | B | 0.0000 | |
| 365 | G | B | 0.0000 | |
| 366 | T | B | 0.0000 | |
| 367 | V | B | -0.4265 | |
| 368 | L | B | 0.0000 | |
| 369 | D | B | -0.6149 | |
| 370 | T | B | -0.9125 | |
| 371 | N | B | -1.5253 | |
| 372 | M | B | 0.0000 | |
| 373 | R | B | -1.9926 | |
| 374 | N | B | -2.1742 | |
| 375 | Y | B | 0.0000 | |
| 376 | A | B | -0.8520 | |
| 377 | Y | B | -0.0987 | |
| 378 | G | B | -0.3546 | |
| 379 | R | B | -0.3275 | |
| 380 | S | B | -0.1414 | |
| 381 | Y | B | -0.2400 | |
| 382 | L | B | 0.0000 | |
| 383 | N | B | -0.8273 | |
| 384 | P | B | -0.9205 | |
| 385 | Q | B | -1.4477 | |
| 386 | Y | B | -0.7947 | |
| 387 | F | B | 0.0000 | |
| 388 | Q | B | -1.3985 | |
| 389 | L | B | -0.8412 | |
| 390 | G | B | 0.0000 | |
| 391 | V | B | 0.0000 | |
| 392 | E | B | -2.1143 | |
| 393 | T | B | 0.0000 | |
| 394 | A | B | 0.0000 | |
| 395 | R | B | -2.6661 | |
| 396 | K | B | -2.8748 | |
| 397 | Q | B | -1.7589 | |
| 398 | Q | B | -1.4021 | |
| 399 | G | B | 0.0000 | |
| 400 | A | B | -0.8151 | |
| 401 | V | B | -0.8967 | |
| 402 | D | B | -1.8989 | |
| 403 | N | B | -3.0715 | |
| 404 | R | B | -3.5698 | |
| 405 | T | B | -2.6908 | |
| 406 | A | B | 0.0000 | |
| 407 | E | B | -3.6819 | |
| 408 | D | B | -3.2714 | |
| 409 | L | B | -2.4744 | |
| 410 | G | B | -2.4490 | |
| 411 | M | B | -1.5068 | |
| 412 | T | B | -0.7245 | |
| 413 | A | B | -0.4629 | |
| 414 | A | B | -0.6876 | |
| 415 | D | B | -1.2096 | |
| 416 | K | B | -1.2389 | |
| 417 | A | B | -1.0004 | |
| 418 | D | B | -1.8693 | |
| 419 | L | B | 0.0000 | |
| 420 | T | B | -1.1446 | |
| 421 | A | B | -1.0630 | |
| 422 | T | B | -1.0390 | |
| 423 | I | B | 0.0000 | |
| 424 | S | B | -1.1229 | |
| 425 | K | B | -1.1117 | |
| 426 | L | B | 0.0000 | |
| 427 | S | B | -0.2103 | |
| 428 | L | B | 1.1781 | |
| 429 | S | B | 0.3682 | |
| 430 | Q | B | -0.0839 | |
| 431 | L | B | 0.7017 | |
| 432 | P | B | -0.7958 | |
| 433 | R | B | -2.5661 | |
| 434 | G | B | -2.5271 | |
| 435 | R | B | -2.9850 | |
| 436 | Q | B | -2.5339 | |
| 437 | P | B | -1.4629 | |
| 438 | I | B | -0.7543 | |
| 439 | S | B | -0.8103 | |
| 440 | D | B | -0.7479 | |
| 441 | P | B | -0.1036 | |
| 442 | F | B | 0.3857 | |
| 443 | A | B | -0.5720 | |
| 444 | G | B | -1.0222 | |
| 445 | A | B | -1.6171 | |
| 446 | N | B | -3.0558 | |
| 447 | D | B | -3.9640 | |
| 448 | R | B | -3.9948 | |
| 449 | E | B | -3.7406 | |
| 450 | T | B | -2.3584 | |
| 451 | G | B | -1.8397 | |
| 452 | G | B | -1.5093 | |
| 453 | Q | B | -1.8158 | |
| 454 | A | B | -1.2594 | |
| 455 | T | B | -1.4082 | |
| 456 | D | B | -1.7579 | |
| 457 | T | B | -0.4309 | |
| 458 | P | B | 0.1581 | |
| 459 | V | B | 1.8191 | |
| 460 | Y | B | 1.9077 | |
| 461 | N | B | 0.4607 | |
| 462 | F | B | 1.4507 | |
| 463 | N | B | -1.0127 | |
| 464 | S | B | -1.7136 | |
| 465 | L | B | -1.8510 | |
| 466 | N | B | -3.1329 | |
| 467 | N | B | -2.9377 | |
| 468 | R | B | -3.1485 | |
| 469 | R | B | -3.1624 | |
| 470 | Y | B | -1.3891 | |
| 471 | D | B | -3.1463 | |
| 472 | N | B | -2.8189 | |
| 473 | Y | B | -1.9361 | |
| 474 | D | B | -2.9048 | |
| 475 | S | B | -2.0368 | |
| 476 | D | B | -3.0178 | |
| 477 | S | B | -1.9211 | |
| 478 | E | B | -1.9999 | |
| 479 | D | B | -2.4003 | |
| 480 | R | B | -1.4199 | |
| 481 | I | B | -0.5826 | |
| 482 | D | B | -1.1604 | |
| 483 | N | B | -1.3129 | |
| 484 | D | B | 0.0000 | |
| 485 | Q | B | -1.6930 | |
| 486 | D | B | -1.7176 | |
| 487 | Q | B | -2.0381 | |
| 488 | A | B | -1.8913 | |
| 489 | I | B | -1.5012 | |
| 490 | R | B | -3.3948 | |
| 491 | E | B | -3.7295 | |
| 492 | N | B | -3.2821 | |
| 493 | R | B | -3.3033 | |
| 512 | L | B | 1.5915 | |
| 513 | P | B | 0.5042 | |
| 514 | V | B | 0.3322 | |
| 515 | P | B | -0.4410 | |
| 516 | Q | B | -1.3467 | |
| 517 | C | B | -1.1680 | |
| 518 | T | B | -0.7320 | |
| 519 | S | B | -0.7184 | |
| 520 | G | B | -0.6581 | |
| 521 | M | B | -1.0011 | |
| 522 | S | B | -1.3745 | |
| 523 | S | B | -1.9696 | |
| 524 | E | B | -3.2390 | |
| 525 | E | B | -3.1388 | |
| 526 | F | B | 0.0000 | |
| 527 | Q | B | -2.2640 | |
| 528 | H | B | -2.6803 | |
| 529 | S | B | -1.9802 | |
| 530 | M | B | 0.0000 | |
| 531 | N | B | -1.7161 | |
| 532 | Q | B | -2.0716 | |
| 533 | Y | B | -0.9995 | |
| 534 | I | B | 0.0000 | |
| 535 | R | B | -2.7858 | |
| 536 | A | B | -1.9521 | |
| 537 | M | B | -1.5595 | |
| 538 | H | B | -2.3683 | |
| 539 | E | B | -3.4873 | |
| 540 | Q | B | -2.7139 | |
| 541 | Y | B | -1.5652 | |
| 542 | R | B | -3.7541 | |
| 543 | G | B | -3.5997 | |
| 544 | S | B | -2.8740 | |
| 545 | Q | B | -3.7003 | |
| 546 | D | B | -4.4634 | |
| 547 | D | B | -4.7570 | |
| 548 | D | B | -4.1427 | |
| 549 | A | B | -3.0537 | |
| 550 | N | B | -3.2147 | |
| 551 | D | B | -2.9913 | |
| 552 | A | B | -1.5447 |
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 | -0.5331 | 5.04 | View | CSV | PDB |
| 4.5 | -0.6042 | 4.9109 | View | CSV | PDB |
| 5.0 | -0.6911 | 4.7488 | View | CSV | PDB |
| 5.5 | -0.7803 | 4.6555 | View | CSV | PDB |
| 6.0 | -0.8594 | 4.5588 | View | CSV | PDB |
| 6.5 | -0.9196 | 4.461 | View | CSV | PDB |
| 7.0 | -0.9595 | 4.3631 | View | CSV | PDB |
| 7.5 | -0.9844 | 4.2656 | View | CSV | PDB |
| 8.0 | -0.9997 | 4.17 | View | CSV | PDB |
| 8.5 | -1.0062 | 4.152 | View | CSV | PDB |
| 9.0 | -1.0011 | 4.1512 | 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