| Chain sequence(s) |
A: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDESLLTEVETPIRNEWGLTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSLSQLPRGRQPISDPFAGANDRETGGQATDTPVYNFNSLNNRRYDNYDSDSEDRIDNDQDQAIRENRGEPGQPNNQTSENQQRLNLPVPQCTSGMSSEEFQHSMNQYIRAMHEQYRGSQDDDANDATDGNDISLELVGDFDSHHHHHH
B: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDESLLTEVETPIRNEWGLTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSLSQLPRGRQPISDPFAGANDRETGGQATDTPVYNFNSLNNRRYDNYDSDSEDRIDNDQDQAIRENRGEPGQPNNQTSENQQRLNLPVPQCTSGMSSEEFQHSMNQYIRAMHEQYRGSQDDDANDATDGNDISLELVGDFDSHHHHHH input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage |
A: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDESLLTEVETPIRNEWGLTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSLSQLPRGRQPISDPFAGAND RETGGQATDTPVYNFNSLNNRRYDNYDSDSEDRIDNDQDQAIRENRGEPGQPNNQTSENQQ RLNLPVPQCTSGMSSEEFQHSMNQYIRAMHEQYRGSQDDDANDATDGNDISLELVGDFDSHHHHHH B: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDESLLTEVETPIRNEWGLTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSLSQLPRGRQPISDPFAGANDRETGGQATDTPV YNFNSLNNRRYDNYDSDSEDRIDNDQDQAIRENRGEPGQPNNQT SENQQRLNLPVPQCTSGMSSEEFQHSMNQYIRAMHEQYRGSQDDDANDATDGNDISLELVGDFDSHHHHHH (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. (00:00:16)
[INFO] FoldX: Starting FoldX energy minimization (00:00:16)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:18:56)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d0df06cf5eaa52/tmp/folded.pdb (00:18:56)
[INFO] Main: Simulation completed successfully. (00:25:12)
|
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 | 0.0844 | |
| 2 | S | A | 0.7548 | |
| 3 | V | A | 2.1329 | |
| 4 | L | A | 1.7831 | |
| 5 | K | A | -0.0944 | |
| 6 | T | A | 0.6601 | |
| 7 | F | A | 1.2611 | |
| 8 | E | A | -0.3086 | |
| 9 | R | A | -1.1115 | |
| 10 | F | A | 0.6567 | |
| 11 | T | A | -0.5377 | |
| 12 | I | A | -0.7054 | |
| 13 | Q | A | -1.9371 | |
| 14 | Q | A | -2.2195 | |
| 15 | E | A | -1.8235 | |
| 16 | L | A | -1.4906 | |
| 17 | Q | A | -3.1121 | |
| 18 | E | A | -3.6727 | |
| 19 | Q | A | -3.1818 | |
| 20 | S | A | -2.9910 | |
| 21 | E | A | -3.1770 | |
| 22 | D | A | -2.9474 | |
| 23 | T | A | -1.8528 | |
| 24 | P | A | 0.0732 | |
| 25 | I | A | 1.3705 | |
| 26 | P | A | 0.9016 | |
| 27 | L | A | 1.2458 | |
| 28 | E | A | -0.8101 | |
| 29 | T | A | -0.2761 | |
| 30 | I | A | 0.6026 | |
| 31 | R | A | -1.5351 | |
| 32 | P | A | -1.0526 | |
| 33 | T | A | -1.0856 | |
| 34 | I | A | 0.0000 | |
| 35 | R | A | -1.2524 | |
| 36 | V | A | 0.0000 | |
| 37 | F | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | N | A | -1.9191 | |
| 41 | N | A | -1.9299 | |
| 42 | N | A | -2.1248 | |
| 43 | D | A | -1.6651 | |
| 44 | P | A | -0.8572 | |
| 45 | V | A | 0.2660 | |
| 46 | V | A | -0.1149 | |
| 47 | R | A | 0.0000 | |
| 48 | S | A | 0.0000 | |
| 49 | R | A | -0.1219 | |
| 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 | -0.9001 | |
| 57 | I | A | 0.0000 | |
| 58 | I | A | 0.0000 | |
| 59 | M | A | 0.0000 | |
| 60 | S | A | 0.0000 | |
| 61 | N | A | -2.1212 | |
| 62 | T | A | -1.4651 | |
| 63 | A | A | 0.0000 | |
| 64 | R | A | -3.1301 | |
| 65 | E | A | -3.2969 | |
| 66 | G | A | -2.1845 | |
| 67 | H | A | -1.7336 | |
| 68 | R | A | -1.7615 | |
| 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 | 0.0000 | |
| 80 | S | A | 0.0000 | |
| 81 | A | A | -1.4573 | |
| 82 | A | A | -1.1243 | |
| 83 | M | A | 0.0000 | |
| 84 | S | A | -1.2188 | |
| 85 | N | A | -1.3685 | |
| 86 | H | A | 0.0000 | |
| 87 | I | A | 0.0000 | |
| 88 | K | A | -1.7582 | |
| 89 | L | A | -0.7174 | |
| 90 | A | A | 0.0000 | |
| 91 | M | A | -0.7649 | |
| 92 | H | A | -1.0753 | |
| 93 | S | A | 0.0000 | |
| 94 | P | A | -1.1891 | |
| 95 | E | A | -1.2891 | |
| 96 | A | A | 0.0000 | |
| 97 | S | A | -1.0967 | |
| 98 | I | A | 0.0000 | |
| 99 | D | A | -1.8143 | |
| 100 | R | A | -1.7246 | |
| 101 | V | A | 0.0000 | |
| 102 | E | A | 0.0000 | |
| 103 | I | A | 0.0000 | |
| 104 | T | A | -0.2854 | |
| 105 | G | A | 0.0000 | |
| 106 | F | A | -0.8077 | |
| 107 | E | A | -1.9830 | |
| 108 | N | A | -2.4470 | |
| 109 | N | A | -2.5310 | |
| 110 | S | A | -1.8570 | |
| 111 | F | A | 0.0000 | |
| 112 | R | A | -1.2606 | |
| 113 | V | A | 0.0000 | |
| 114 | I | A | 0.0556 | |
| 115 | P | A | -0.3862 | |
| 116 | D | A | -0.8232 | |
| 117 | A | A | -0.9247 | |
| 118 | R | A | -1.9411 | |
| 119 | T | A | -1.1493 | |
| 120 | S | A | -0.8642 | |
| 121 | T | A | -0.9208 | |
| 122 | M | A | 0.0000 | |
| 123 | S | A | -1.3233 | |
| 124 | R | A | -2.0660 | |
| 125 | G | A | -1.4594 | |
| 126 | E | A | -1.2495 | |
| 127 | V | A | 0.0000 | |
| 128 | L | A | -0.1847 | |
| 129 | A | A | -0.4734 | |
| 130 | F | A | 0.0000 | |
| 131 | E | A | -0.7704 | |
| 132 | A | A | -0.6810 | |
| 133 | L | A | -1.0541 | |
| 134 | A | A | 0.0000 | |
| 135 | E | A | -2.4190 | |
| 136 | D | A | -1.9181 | |
| 137 | I | A | 0.0000 | |
| 138 | P | A | -1.3843 | |
| 139 | D | A | -1.2827 | |
| 140 | E | A | -1.3178 | |
| 141 | S | A | -0.3806 | |
| 142 | L | A | 1.1511 | |
| 143 | L | A | 0.6517 | |
| 144 | T | A | -0.1112 | |
| 145 | E | A | -1.0696 | |
| 146 | V | A | 0.1253 | |
| 147 | E | A | -0.9488 | |
| 148 | T | A | -0.4089 | |
| 149 | P | A | -0.4247 | |
| 150 | I | A | 0.1551 | |
| 151 | R | A | -1.9161 | |
| 152 | N | A | -2.4756 | |
| 153 | E | A | -2.4361 | |
| 154 | W | A | -1.0373 | |
| 155 | G | A | -1.3622 | |
| 156 | L | A | -0.5750 | |
| 157 | T | A | -1.1620 | |
| 158 | L | A | 0.0000 | |
| 159 | N | A | -2.0153 | |
| 160 | H | A | -2.3812 | |
| 161 | Q | A | -2.3521 | |
| 162 | T | A | 0.0000 | |
| 163 | P | A | 0.0000 | |
| 164 | F | A | 0.0000 | |
| 165 | V | A | -0.1837 | |
| 166 | N | A | -1.5530 | |
| 167 | L | A | -0.8729 | |
| 168 | Q | A | -2.0427 | |
| 169 | N | A | -3.0133 | |
| 170 | D | A | -3.3322 | |
| 171 | V | A | 0.0000 | |
| 172 | E | A | -1.5936 | |
| 173 | D | A | -2.4732 | |
| 174 | D | A | -0.9500 | |
| 175 | I | A | 0.8951 | |
| 176 | F | A | 0.0000 | |
| 177 | D | A | -1.3715 | |
| 178 | E | A | -1.4130 | |
| 179 | T | A | -1.5230 | |
| 180 | E | A | -1.7179 | |
| 181 | K | A | -1.2986 | |
| 182 | F | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | D | A | -0.9462 | |
| 185 | V | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | Y | A | 0.0000 | |
| 188 | S | A | 0.0000 | |
| 189 | V | A | 0.0000 | |
| 190 | L | A | 0.0000 | |
| 191 | M | A | 0.0000 | |
| 192 | Q | A | 0.0000 | |
| 193 | A | A | 0.0000 | |
| 194 | W | A | 0.0000 | |
| 195 | I | A | 0.0000 | |
| 196 | V | A | 0.0000 | |
| 197 | T | A | 0.0000 | |
| 198 | C | A | -0.1282 | |
| 199 | K | A | -0.6222 | |
| 200 | C | A | 0.0000 | |
| 201 | M | A | -0.4081 | |
| 202 | T | A | -0.5336 | |
| 203 | A | A | -1.0123 | |
| 204 | P | A | -1.4855 | |
| 205 | D | A | -2.5106 | |
| 206 | Q | A | -2.0210 | |
| 207 | P | A | -0.8382 | |
| 208 | P | A | -0.4891 | |
| 209 | V | A | 0.7932 | |
| 210 | S | A | -0.2522 | |
| 211 | V | A | 0.0000 | |
| 212 | A | A | -0.5455 | |
| 213 | K | A | -1.6720 | |
| 214 | R | A | -1.3993 | |
| 215 | M | A | 0.0000 | |
| 216 | A | A | -1.4879 | |
| 217 | K | A | -1.7240 | |
| 218 | Y | A | 0.0000 | |
| 219 | Q | A | -1.5068 | |
| 220 | Q | A | -2.0672 | |
| 221 | Q | A | -1.5316 | |
| 222 | G | A | -1.4375 | |
| 223 | R | A | 0.0000 | |
| 224 | I | A | 0.0000 | |
| 225 | N | A | -0.6041 | |
| 226 | A | A | -0.1051 | |
| 227 | C | A | 0.5343 | |
| 228 | R | A | -0.6010 | |
| 229 | Y | A | 0.0000 | |
| 230 | V | A | 0.2154 | |
| 231 | L | A | 0.0000 | |
| 232 | Q | A | 0.0000 | |
| 233 | P | A | -0.1456 | |
| 234 | E | A | 0.0000 | |
| 235 | A | A | 0.0000 | |
| 236 | Q | A | -0.3388 | |
| 237 | R | A | -0.2170 | |
| 238 | L | A | 0.0000 | |
| 239 | I | A | 0.0000 | |
| 240 | Q | A | 0.0000 | |
| 241 | N | A | -1.1766 | |
| 242 | A | A | 0.0000 | |
| 243 | I | A | 0.0000 | |
| 244 | R | A | -1.8512 | |
| 245 | K | A | -2.3436 | |
| 246 | S | A | 0.0000 | |
| 247 | M | A | -0.7845 | |
| 248 | V | A | 0.0000 | |
| 249 | V | A | 0.0000 | |
| 250 | R | A | 0.0000 | |
| 251 | H | A | -0.1189 | |
| 252 | F | A | 0.0000 | |
| 253 | M | A | 0.0000 | |
| 254 | T | A | 0.0000 | |
| 255 | Y | A | 0.2728 | |
| 256 | E | A | 0.0000 | |
| 257 | L | A | 0.0000 | |
| 258 | Q | A | 0.0268 | |
| 259 | L | A | 0.0000 | |
| 260 | S | A | 0.0000 | |
| 261 | Q | A | -0.6721 | |
| 262 | S | A | -0.9063 | |
| 263 | R | A | -1.8611 | |
| 264 | S | A | -0.5196 | |
| 265 | L | A | 0.0000 | |
| 266 | L | A | -0.2518 | |
| 267 | A | A | -0.3916 | |
| 268 | N | A | -0.8258 | |
| 269 | R | A | -0.5151 | |
| 270 | Y | A | 0.0000 | |
| 271 | Y | A | 0.0000 | |
| 272 | A | A | 0.0000 | |
| 273 | M | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | G | A | -0.5515 | |
| 276 | D | A | -0.5680 | |
| 277 | I | A | 0.0000 | |
| 278 | G | A | 0.0000 | |
| 279 | K | A | -1.4308 | |
| 280 | Y | A | -0.5109 | |
| 281 | I | A | 0.0000 | |
| 282 | E | A | -0.9022 | |
| 283 | H | A | -0.7331 | |
| 284 | S | A | -0.6424 | |
| 285 | G | A | -0.4281 | |
| 286 | M | A | 0.0000 | |
| 287 | G | A | -0.2342 | |
| 288 | G | A | -0.0477 | |
| 289 | F | A | 0.0000 | |
| 290 | F | A | 0.0989 | |
| 291 | L | A | 0.1206 | |
| 292 | T | A | 0.0000 | |
| 293 | L | A | 0.0000 | |
| 294 | K | A | -0.4908 | |
| 295 | Y | A | 0.0000 | |
| 296 | G | A | 0.0000 | |
| 297 | L | A | 0.0000 | |
| 298 | G | A | 0.0000 | |
| 299 | T | A | 0.0000 | |
| 300 | R | A | -0.6850 | |
| 301 | W | A | 0.0000 | |
| 302 | P | A | -0.3016 | |
| 303 | T | A | 0.0557 | |
| 304 | L | A | 0.0000 | |
| 305 | A | A | 0.2225 | |
| 306 | L | A | 0.6218 | |
| 307 | A | A | 0.2725 | |
| 308 | A | A | 0.2045 | |
| 309 | F | A | 0.0000 | |
| 310 | S | A | -0.2869 | |
| 311 | G | A | -0.5521 | |
| 312 | E | A | -0.6564 | |
| 313 | L | A | -0.2545 | |
| 314 | Q | A | -0.5828 | |
| 315 | K | A | -0.9111 | |
| 316 | L | A | 0.0000 | |
| 317 | K | A | 0.0000 | |
| 318 | A | A | 0.0000 | |
| 319 | L | A | 0.0000 | |
| 320 | M | A | 0.0000 | |
| 321 | L | A | 0.1310 | |
| 322 | H | A | 0.0000 | |
| 323 | Y | A | 0.0000 | |
| 324 | Q | A | -0.3930 | |
| 325 | S | A | -0.6086 | |
| 326 | L | A | -0.4355 | |
| 327 | G | A | -0.4651 | |
| 328 | P | A | -0.6044 | |
| 329 | M | A | -0.0561 | |
| 330 | A | A | 0.0000 | |
| 331 | K | A | -0.7014 | |
| 332 | Y | A | 0.0000 | |
| 333 | M | A | 0.0000 | |
| 334 | A | A | -0.7797 | |
| 335 | L | A | 0.0000 | |
| 336 | L | A | -0.7026 | |
| 337 | E | A | -1.7429 | |
| 338 | S | A | -1.0182 | |
| 339 | P | A | -0.7432 | |
| 340 | K | A | -0.8869 | |
| 341 | L | A | -0.2782 | |
| 342 | M | A | 0.2017 | |
| 343 | D | A | -0.6536 | |
| 344 | F | A | 0.0000 | |
| 345 | V | A | 0.0874 | |
| 346 | P | A | 0.0000 | |
| 347 | S | A | -0.4699 | |
| 348 | E | A | -0.9283 | |
| 349 | Y | A | 0.0000 | |
| 350 | P | A | -0.2633 | |
| 351 | L | A | -0.0136 | |
| 352 | V | A | 0.0000 | |
| 353 | Y | A | 0.0000 | |
| 354 | S | A | 0.0000 | |
| 355 | Y | A | 0.0000 | |
| 356 | A | A | 0.0000 | |
| 357 | M | A | 0.0000 | |
| 358 | G | A | 0.0000 | |
| 359 | I | A | 0.0000 | |
| 360 | G | A | 0.0000 | |
| 361 | T | A | -0.5663 | |
| 362 | V | A | -0.3794 | |
| 363 | L | A | 0.0000 | |
| 364 | D | A | -0.7729 | |
| 365 | T | A | -1.3341 | |
| 366 | N | A | -1.9492 | |
| 367 | M | A | 0.0000 | |
| 368 | R | A | -2.6830 | |
| 369 | N | A | -2.3000 | |
| 370 | Y | A | -1.2138 | |
| 371 | A | A | -0.7332 | |
| 372 | Y | A | -0.7649 | |
| 373 | G | A | -0.7561 | |
| 374 | R | A | -1.3055 | |
| 375 | S | A | -0.7691 | |
| 376 | Y | A | -0.4730 | |
| 377 | L | A | 0.0000 | |
| 378 | N | A | -0.7186 | |
| 379 | P | A | -0.8536 | |
| 380 | Q | A | -1.3184 | |
| 381 | Y | A | -0.5353 | |
| 382 | F | A | -0.5382 | |
| 383 | Q | A | -1.2404 | |
| 384 | L | A | -0.6430 | |
| 385 | G | A | 0.0000 | |
| 386 | V | A | -1.1128 | |
| 387 | E | A | -1.9682 | |
| 388 | T | A | 0.0000 | |
| 389 | A | A | 0.0000 | |
| 390 | R | A | -2.9175 | |
| 391 | K | A | -2.9735 | |
| 392 | Q | A | -1.7970 | |
| 393 | Q | A | -1.4736 | |
| 394 | G | A | -1.1736 | |
| 395 | A | A | -0.8788 | |
| 396 | V | A | -0.6583 | |
| 397 | D | A | -1.8835 | |
| 398 | N | A | -3.0938 | |
| 399 | R | A | -3.6728 | |
| 400 | T | A | -2.6830 | |
| 401 | A | A | 0.0000 | |
| 402 | E | A | -3.9273 | |
| 403 | D | A | -3.7290 | |
| 404 | L | A | 0.0000 | |
| 405 | G | A | -2.4275 | |
| 406 | M | A | -1.5644 | |
| 407 | T | A | -0.8479 | |
| 408 | A | A | -0.5584 | |
| 409 | A | A | -0.8227 | |
| 410 | D | A | -1.4130 | |
| 411 | K | A | -1.3939 | |
| 412 | A | A | -1.1842 | |
| 413 | D | A | -2.1168 | |
| 414 | L | A | 0.0000 | |
| 415 | T | A | -1.0610 | |
| 416 | A | A | -1.2246 | |
| 417 | T | A | 0.0000 | |
| 418 | I | A | 0.0000 | |
| 419 | S | A | -0.9829 | |
| 420 | K | A | -1.4558 | |
| 421 | L | A | 0.0000 | |
| 422 | S | A | -0.2859 | |
| 423 | L | A | 0.9066 | |
| 424 | S | A | -0.0350 | |
| 425 | Q | A | -0.5874 | |
| 426 | L | A | 0.4783 | |
| 427 | P | A | -1.2215 | |
| 428 | R | A | -2.5302 | |
| 429 | G | A | -2.4947 | |
| 430 | R | A | -2.6881 | |
| 431 | Q | A | -2.0707 | |
| 432 | P | A | -0.7981 | |
| 433 | I | A | 0.5918 | |
| 434 | S | A | -0.3655 | |
| 435 | D | A | -1.0907 | |
| 436 | P | A | -0.4156 | |
| 437 | F | A | 0.0932 | |
| 438 | A | A | -0.8702 | |
| 439 | G | A | -1.4150 | |
| 440 | A | A | -1.3637 | |
| 441 | N | A | -2.6459 | |
| 442 | D | A | -3.3999 | |
| 443 | R | A | -3.1617 | |
| 505 | L | A | 0.9848 | |
| 506 | N | A | -0.2292 | |
| 507 | L | A | 0.6253 | |
| 508 | P | A | 0.4506 | |
| 509 | V | A | 1.5245 | |
| 510 | P | A | 0.0266 | |
| 511 | Q | A | -0.3918 | |
| 512 | C | A | 0.0737 | |
| 513 | T | A | -0.1002 | |
| 514 | S | A | -0.3343 | |
| 515 | G | A | -0.4759 | |
| 516 | M | A | -0.6362 | |
| 517 | S | A | -1.2523 | |
| 518 | S | A | -1.7022 | |
| 519 | E | A | -3.0519 | |
| 520 | E | A | -2.9163 | |
| 521 | F | A | -1.9745 | |
| 522 | Q | A | -3.0090 | |
| 523 | H | A | -3.0135 | |
| 524 | S | A | -1.9041 | |
| 525 | M | A | -1.3092 | |
| 526 | N | A | -2.5848 | |
| 527 | Q | A | -2.3684 | |
| 528 | Y | A | -0.8041 | |
| 529 | I | A | -0.8436 | |
| 530 | R | A | -2.7536 | |
| 531 | A | A | -1.6003 | |
| 532 | M | A | -1.1034 | |
| 533 | H | A | -2.0786 | |
| 534 | E | A | -2.9476 | |
| 535 | Q | A | -1.5363 | |
| 536 | Y | A | -0.8993 | |
| 537 | R | A | -2.8053 | |
| 538 | G | A | -2.7107 | |
| 539 | S | A | -2.6413 | |
| 540 | Q | A | -3.3050 | |
| 541 | D | A | -4.1607 | |
| 542 | D | A | -3.9539 | |
| 543 | D | A | -3.3475 | |
| 544 | A | A | -1.8331 | |
| 1 | S | B | -0.5410 | |
| 2 | S | B | -0.6487 | |
| 3 | V | B | -0.4984 | |
| 4 | L | B | -0.8607 | |
| 5 | K | B | -2.1410 | |
| 6 | T | B | -1.4102 | |
| 7 | F | B | -1.2135 | |
| 8 | E | B | -2.2982 | |
| 9 | R | B | -2.6639 | |
| 10 | F | B | 0.0000 | |
| 11 | T | B | -1.5673 | |
| 12 | I | B | -1.1914 | |
| 13 | Q | B | -1.6062 | |
| 14 | Q | B | -1.4505 | |
| 15 | E | B | -0.9880 | |
| 16 | L | B | -0.6007 | |
| 17 | Q | B | -2.2227 | |
| 18 | E | B | -1.9769 | |
| 19 | Q | B | -2.0344 | |
| 20 | S | B | -2.3845 | |
| 21 | E | B | -2.9742 | |
| 22 | D | B | -2.7663 | |
| 23 | T | B | -1.6387 | |
| 24 | P | B | -0.0670 | |
| 25 | I | B | 1.0727 | |
| 26 | P | B | 0.3986 | |
| 27 | L | B | -0.2643 | |
| 28 | E | B | -1.7708 | |
| 29 | T | B | 0.0000 | |
| 30 | I | B | 0.0000 | |
| 31 | R | B | -2.4315 | |
| 32 | P | B | 0.0000 | |
| 33 | T | B | -1.0671 | |
| 34 | I | B | 0.0000 | |
| 35 | R | B | -1.2493 | |
| 36 | V | B | 0.0000 | |
| 37 | F | B | 0.0000 | |
| 38 | V | B | 0.0000 | |
| 39 | I | B | 0.0000 | |
| 40 | N | B | -1.9221 | |
| 41 | N | B | -1.9543 | |
| 42 | N | B | -2.0509 | |
| 43 | D | B | -1.9761 | |
| 44 | P | B | -1.4276 | |
| 45 | V | B | -0.0110 | |
| 46 | V | B | -0.1408 | |
| 47 | R | B | 0.0000 | |
| 48 | S | B | 0.0000 | |
| 49 | R | B | -0.0737 | |
| 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 | -0.9598 | |
| 57 | I | B | 0.0000 | |
| 58 | I | B | 0.0000 | |
| 59 | M | B | 0.0000 | |
| 60 | S | B | 0.0000 | |
| 61 | N | B | -2.0191 | |
| 62 | T | B | -1.3848 | |
| 63 | A | B | 0.0000 | |
| 64 | R | B | -1.9202 | |
| 65 | E | B | -1.8329 | |
| 66 | G | B | -1.3466 | |
| 67 | H | B | -1.0713 | |
| 68 | R | B | -1.1200 | |
| 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 | -0.2558 | |
| 80 | S | B | -0.3839 | |
| 81 | A | B | -0.7078 | |
| 82 | A | B | -0.9358 | |
| 83 | M | B | 0.0000 | |
| 84 | S | B | -1.3832 | |
| 85 | N | B | -1.7085 | |
| 86 | H | B | -1.0271 | |
| 87 | I | B | 0.0000 | |
| 88 | K | B | -1.6988 | |
| 89 | L | B | -0.6813 | |
| 90 | A | B | 0.0000 | |
| 91 | M | B | -0.4580 | |
| 92 | H | B | -0.8489 | |
| 93 | S | B | 0.0000 | |
| 94 | P | B | -1.0424 | |
| 95 | E | B | -1.1662 | |
| 96 | A | B | 0.0000 | |
| 97 | S | B | -0.9813 | |
| 98 | I | B | -1.0507 | |
| 99 | D | B | -1.3910 | |
| 100 | R | B | -1.6270 | |
| 101 | V | B | 0.0000 | |
| 102 | E | B | 0.0000 | |
| 103 | I | B | 0.0000 | |
| 104 | T | B | -0.2625 | |
| 105 | G | B | 0.0000 | |
| 106 | F | B | -0.7846 | |
| 107 | E | B | -1.9768 | |
| 108 | N | B | -2.4548 | |
| 109 | N | B | -2.5394 | |
| 110 | S | B | -1.8498 | |
| 111 | F | B | 0.0000 | |
| 112 | R | B | -1.2597 | |
| 113 | V | B | 0.0000 | |
| 114 | I | B | 0.1107 | |
| 115 | P | B | -0.3539 | |
| 116 | D | B | -0.8083 | |
| 117 | A | B | -0.8976 | |
| 118 | R | B | -1.9417 | |
| 119 | T | B | -1.1585 | |
| 120 | S | B | -0.8076 | |
| 121 | T | B | -0.8119 | |
| 122 | M | B | -0.6629 | |
| 123 | S | B | -1.2579 | |
| 124 | R | B | -2.0503 | |
| 125 | G | B | -1.4439 | |
| 126 | E | B | -1.1090 | |
| 127 | V | B | 0.0000 | |
| 128 | L | B | -0.3691 | |
| 129 | A | B | -0.5439 | |
| 130 | F | B | 0.0000 | |
| 131 | E | B | -0.8417 | |
| 132 | A | B | -0.7915 | |
| 133 | L | B | 0.0000 | |
| 134 | A | B | 0.0000 | |
| 135 | E | B | -2.4983 | |
| 136 | D | B | -2.0162 | |
| 137 | I | B | 0.0000 | |
| 138 | P | B | -1.3686 | |
| 139 | D | B | -1.2179 | |
| 140 | E | B | -1.1787 | |
| 141 | S | B | -0.4106 | |
| 142 | L | B | 0.6529 | |
| 143 | L | B | 0.2868 | |
| 144 | T | B | -0.2745 | |
| 145 | E | B | -1.1478 | |
| 146 | V | B | 0.0689 | |
| 147 | E | B | -0.8539 | |
| 148 | T | B | -0.4892 | |
| 149 | P | B | -0.3576 | |
| 150 | I | B | 0.2669 | |
| 151 | R | B | -1.6349 | |
| 152 | N | B | -2.0678 | |
| 153 | E | B | -2.0953 | |
| 154 | W | B | -0.4198 | |
| 155 | G | B | -0.7521 | |
| 156 | L | B | -0.1945 | |
| 157 | T | B | -0.7465 | |
| 158 | L | B | 0.0000 | |
| 159 | N | B | -1.5965 | |
| 160 | H | B | -1.8451 | |
| 161 | Q | B | -2.1553 | |
| 162 | T | B | 0.0000 | |
| 163 | P | B | 0.0000 | |
| 164 | F | B | 0.0000 | |
| 165 | V | B | 0.1870 | |
| 166 | N | B | -0.5074 | |
| 167 | L | B | -0.1367 | |
| 168 | Q | B | -1.4905 | |
| 169 | N | B | -2.6969 | |
| 170 | D | B | -3.2413 | |
| 171 | V | B | 0.0000 | |
| 172 | E | B | 0.0000 | |
| 173 | D | B | -2.4447 | |
| 174 | D | B | -0.8652 | |
| 175 | I | B | 0.7559 | |
| 176 | F | B | 0.0000 | |
| 177 | D | B | -2.2466 | |
| 178 | E | B | -2.9644 | |
| 179 | T | B | -2.5839 | |
| 180 | E | B | -3.0058 | |
| 181 | K | B | -2.2710 | |
| 182 | F | B | 0.0000 | |
| 183 | L | B | -1.1833 | |
| 184 | D | B | -1.4379 | |
| 185 | V | B | 0.0000 | |
| 186 | C | B | 0.0000 | |
| 187 | Y | B | 0.0000 | |
| 188 | S | B | 0.0000 | |
| 189 | V | B | 0.0000 | |
| 190 | L | B | 0.0000 | |
| 191 | M | B | 0.0000 | |
| 192 | Q | B | 0.0000 | |
| 193 | A | B | 0.0000 | |
| 194 | W | B | 0.0000 | |
| 195 | I | B | 0.0000 | |
| 196 | V | B | 0.0000 | |
| 197 | T | B | 0.0000 | |
| 198 | C | B | -0.0683 | |
| 199 | K | B | -0.5600 | |
| 200 | C | B | 0.0000 | |
| 201 | M | B | -0.1659 | |
| 202 | T | B | -0.5721 | |
| 203 | A | B | -1.2050 | |
| 204 | P | B | -1.6498 | |
| 205 | D | B | -2.6402 | |
| 206 | Q | B | -2.0317 | |
| 207 | P | B | -0.8552 | |
| 208 | P | B | -0.3936 | |
| 209 | V | B | 0.9193 | |
| 210 | S | B | -0.0803 | |
| 211 | V | B | -0.1555 | |
| 212 | A | B | -0.4393 | |
| 213 | K | B | -1.6407 | |
| 214 | R | B | -1.3496 | |
| 215 | M | B | 0.0000 | |
| 216 | A | B | -1.6619 | |
| 217 | K | B | -2.2235 | |
| 218 | Y | B | 0.0000 | |
| 219 | Q | B | -2.1516 | |
| 220 | Q | B | -2.5527 | |
| 221 | Q | B | -2.5397 | |
| 222 | G | B | -2.1963 | |
| 223 | R | B | -2.2552 | |
| 224 | I | B | 0.0000 | |
| 225 | N | B | -0.9895 | |
| 226 | A | B | -0.2777 | |
| 227 | C | B | 0.3945 | |
| 228 | R | B | -0.4973 | |
| 229 | Y | B | 0.0000 | |
| 230 | V | B | 0.1948 | |
| 231 | L | B | 0.0000 | |
| 232 | Q | B | 0.0000 | |
| 233 | P | B | -0.0526 | |
| 234 | E | B | 0.0000 | |
| 235 | A | B | 0.0000 | |
| 236 | Q | B | -0.2676 | |
| 237 | R | B | 0.0000 | |
| 238 | L | B | -0.1192 | |
| 239 | I | B | 0.0000 | |
| 240 | Q | B | -0.5841 | |
| 241 | N | B | -0.9909 | |
| 242 | A | B | 0.0000 | |
| 243 | I | B | 0.0000 | |
| 244 | R | B | -1.1730 | |
| 245 | K | B | -1.6948 | |
| 246 | S | B | 0.0000 | |
| 247 | M | B | 0.0000 | |
| 248 | V | B | 0.0000 | |
| 249 | V | B | 0.0000 | |
| 250 | R | B | 0.0000 | |
| 251 | H | B | 0.0000 | |
| 252 | F | B | 0.0000 | |
| 253 | M | B | 0.0000 | |
| 254 | T | B | 0.0000 | |
| 255 | Y | B | 0.1640 | |
| 256 | E | B | 0.0000 | |
| 257 | L | B | 0.0000 | |
| 258 | Q | B | -0.4667 | |
| 259 | L | B | -0.1472 | |
| 260 | S | B | -0.7340 | |
| 261 | Q | B | -1.0721 | |
| 262 | S | B | -0.9120 | |
| 263 | R | B | -1.5123 | |
| 264 | S | B | -0.0776 | |
| 265 | L | B | 1.5624 | |
| 266 | L | B | 1.5127 | |
| 267 | A | B | -0.0685 | |
| 268 | N | B | -1.5169 | |
| 269 | R | B | -2.2322 | |
| 270 | Y | B | 0.0000 | |
| 271 | Y | B | -0.7532 | |
| 272 | A | B | -0.7785 | |
| 273 | M | B | 0.0000 | |
| 274 | V | B | 0.0000 | |
| 275 | G | B | -1.1670 | |
| 276 | D | B | -1.4213 | |
| 277 | I | B | 0.0000 | |
| 278 | G | B | 0.0000 | |
| 279 | K | B | -1.8523 | |
| 280 | Y | B | -0.5729 | |
| 281 | I | B | 0.0000 | |
| 282 | E | B | 0.0000 | |
| 283 | H | B | -0.7706 | |
| 284 | S | B | -0.6447 | |
| 285 | G | B | -0.5067 | |
| 286 | M | B | 0.0000 | |
| 287 | G | B | -0.1434 | |
| 288 | G | B | 0.0000 | |
| 289 | F | B | 0.0000 | |
| 290 | F | B | 0.1155 | |
| 291 | L | B | -0.1284 | |
| 292 | T | B | 0.0000 | |
| 293 | L | B | -0.4318 | |
| 294 | K | B | -1.5735 | |
| 295 | Y | B | 0.0000 | |
| 296 | G | B | 0.0000 | |
| 297 | L | B | -0.6859 | |
| 298 | G | B | -1.2362 | |
| 299 | T | B | -1.3660 | |
| 300 | R | B | -2.3532 | |
| 301 | W | B | -0.9889 | |
| 302 | P | B | -1.2639 | |
| 303 | T | B | 0.0000 | |
| 304 | L | B | -0.3230 | |
| 305 | A | B | 0.0000 | |
| 306 | L | B | 0.0000 | |
| 307 | A | B | 0.0000 | |
| 308 | A | B | 0.0000 | |
| 309 | F | B | 0.0000 | |
| 310 | S | B | 0.0000 | |
| 311 | G | B | -0.6559 | |
| 312 | E | B | 0.0000 | |
| 313 | L | B | -0.2731 | |
| 314 | Q | B | -0.7985 | |
| 315 | K | B | -0.8282 | |
| 316 | L | B | 0.0000 | |
| 317 | K | B | -0.7731 | |
| 318 | A | B | 0.0000 | |
| 319 | L | B | 0.0000 | |
| 320 | M | B | 0.1140 | |
| 321 | L | B | 0.4365 | |
| 322 | H | B | 0.0000 | |
| 323 | Y | B | -0.2645 | |
| 324 | Q | B | -0.7835 | |
| 325 | S | B | -0.4639 | |
| 326 | L | B | -0.5362 | |
| 327 | G | B | -0.6078 | |
| 328 | P | B | -0.6701 | |
| 329 | M | B | -0.4010 | |
| 330 | A | B | 0.0000 | |
| 331 | K | B | -1.1003 | |
| 332 | Y | B | 0.0000 | |
| 333 | M | B | 0.0000 | |
| 334 | A | B | -0.3253 | |
| 335 | L | B | 0.0000 | |
| 336 | L | B | 0.0000 | |
| 337 | E | B | -0.3645 | |
| 338 | S | B | 0.0000 | |
| 339 | P | B | -0.4598 | |
| 340 | K | B | 0.0000 | |
| 341 | L | B | -0.0872 | |
| 342 | M | B | -0.3215 | |
| 343 | D | B | -0.8303 | |
| 344 | F | B | 0.0000 | |
| 345 | V | B | 0.0173 | |
| 346 | P | B | 0.0000 | |
| 347 | S | B | -0.5440 | |
| 348 | E | B | -0.6327 | |
| 349 | Y | B | 0.0000 | |
| 350 | P | B | 0.0000 | |
| 351 | L | B | 0.0000 | |
| 352 | V | B | 0.0000 | |
| 353 | Y | B | 0.0000 | |
| 354 | S | B | 0.0000 | |
| 355 | Y | B | 0.0000 | |
| 356 | A | B | 0.0000 | |
| 357 | M | B | 0.0000 | |
| 358 | G | B | 0.0000 | |
| 359 | I | B | 0.0000 | |
| 360 | G | B | 0.0000 | |
| 361 | T | B | 0.0000 | |
| 362 | V | B | -0.3062 | |
| 363 | L | B | 0.1724 | |
| 364 | D | B | -0.5221 | |
| 365 | T | B | -1.2798 | |
| 366 | N | B | -2.1346 | |
| 367 | M | B | 0.0000 | |
| 368 | R | B | -2.7091 | |
| 369 | N | B | -2.3642 | |
| 370 | Y | B | -1.2608 | |
| 371 | A | B | -0.7154 | |
| 372 | Y | B | -0.7810 | |
| 373 | G | B | -0.6762 | |
| 374 | R | B | -1.2047 | |
| 375 | S | B | -0.8997 | |
| 376 | Y | B | -0.7234 | |
| 377 | L | B | 0.0000 | |
| 378 | N | B | -0.5596 | |
| 379 | P | B | -0.3170 | |
| 380 | Q | B | -0.6563 | |
| 381 | Y | B | 0.0000 | |
| 382 | F | B | 0.0000 | |
| 383 | Q | B | -0.7964 | |
| 384 | L | B | 0.0000 | |
| 385 | G | B | 0.0000 | |
| 386 | V | B | -0.9391 | |
| 387 | E | B | -2.0119 | |
| 388 | T | B | 0.0000 | |
| 389 | A | B | 0.0000 | |
| 390 | R | B | -3.0902 | |
| 391 | K | B | -3.0023 | |
| 392 | Q | B | -2.2963 | |
| 393 | Q | B | -2.2073 | |
| 394 | G | B | -1.5375 | |
| 395 | A | B | -1.3075 | |
| 396 | V | B | -1.6104 | |
| 397 | D | B | -3.2521 | |
| 398 | N | B | -3.6668 | |
| 399 | R | B | -3.9338 | |
| 400 | T | B | -2.7654 | |
| 401 | A | B | 0.0000 | |
| 402 | E | B | -3.6363 | |
| 403 | D | B | -2.9443 | |
| 404 | L | B | -0.7185 | |
| 405 | G | B | -1.3626 | |
| 406 | M | B | -1.2010 | |
| 407 | T | B | -0.7494 | |
| 408 | A | B | -0.5596 | |
| 409 | A | B | -0.8687 | |
| 410 | D | B | -1.5208 | |
| 411 | K | B | -1.3670 | |
| 412 | A | B | -0.9826 | |
| 413 | D | B | -1.8706 | |
| 414 | L | B | -0.6747 | |
| 415 | T | B | -0.6798 | |
| 416 | A | B | -0.7606 | |
| 417 | T | B | -0.2593 | |
| 418 | I | B | 0.0827 | |
| 419 | S | B | -0.5940 | |
| 420 | K | B | -0.5518 | |
| 421 | L | B | 1.0475 | |
| 422 | S | B | 0.3589 | |
| 423 | L | B | 1.3996 | |
| 424 | S | B | 0.4848 | |
| 425 | Q | B | -0.2466 | |
| 426 | L | B | 0.6505 | |
| 427 | P | B | -1.3086 | |
| 428 | R | B | -2.5599 | |
| 429 | G | B | -2.4101 | |
| 430 | R | B | -2.4880 | |
| 431 | Q | B | -2.1321 | |
| 432 | P | B | -0.6968 | |
| 433 | I | B | 0.6798 | |
| 434 | S | B | -0.1659 | |
| 435 | D | B | -0.7089 | |
| 436 | P | B | 0.0123 | |
| 437 | F | B | 0.7627 | |
| 438 | A | B | -0.3107 | |
| 439 | G | B | -1.2319 | |
| 440 | A | B | -1.2583 | |
| 441 | N | B | -2.9154 | |
| 442 | D | B | -3.9806 | |
| 443 | R | B | -4.1285 | |
| 444 | E | B | -3.7065 | |
| 445 | T | B | -2.1014 | |
| 446 | G | B | -1.6401 | |
| 447 | G | B | -1.4503 | |
| 448 | Q | B | -1.7119 | |
| 449 | A | B | -1.1957 | |
| 450 | T | B | -1.3357 | |
| 451 | D | B | -1.8455 | |
| 452 | T | B | -0.5678 | |
| 453 | P | B | 0.0206 | |
| 454 | V | B | 1.4316 | |
| 499 | S | B | -1.5332 | |
| 500 | E | B | -3.7245 | |
| 501 | N | B | -3.9985 | |
| 502 | Q | B | -3.8499 | |
| 503 | Q | B | -3.7606 | |
| 504 | R | B | -3.1762 | |
| 505 | L | B | -1.5733 | |
| 506 | N | B | -1.2412 | |
| 507 | L | B | -0.0807 | |
| 508 | P | B | 0.6243 | |
| 509 | V | B | 1.4916 | |
| 510 | P | B | 0.1034 | |
| 511 | Q | B | -0.5537 | |
| 512 | C | B | -0.3115 | |
| 513 | T | B | -0.2125 | |
| 514 | S | B | -0.2722 | |
| 515 | G | B | -0.4361 | |
| 516 | M | B | -0.5334 | |
| 517 | S | B | -1.3644 | |
| 518 | S | B | -1.7528 | |
| 519 | E | B | -3.1419 | |
| 520 | E | B | -2.9765 | |
| 521 | F | B | -2.0614 | |
| 522 | Q | B | -2.9057 | |
| 523 | H | B | -3.0793 | |
| 524 | S | B | -2.0056 | |
| 525 | M | B | -1.3095 | |
| 526 | N | B | -2.6758 | |
| 527 | Q | B | -2.1407 | |
| 528 | Y | B | -0.6765 | |
| 529 | I | B | -0.6916 | |
| 530 | R | B | -2.5340 | |
| 531 | A | B | -1.2451 | |
| 532 | M | B | -0.8396 | |
| 533 | H | B | -1.7073 | |
| 534 | E | B | -2.9084 | |
| 535 | Q | B | -2.2310 | |
| 536 | Y | B | -1.2373 | |
| 537 | R | B | -2.9420 | |
| 538 | G | B | -3.5675 | |
| 539 | S | B | -3.3706 | |
| 540 | Q | B | -3.8619 | |
| 541 | D | B | -4.4199 | |
| 542 | D | B | -4.1898 | |
| 543 | D | B | -3.2607 | |
| 544 | A | B | -1.7425 |
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 | -0.5008 | 5.0328 | View | CSV | PDB |
| 4.5 | -0.5652 | 4.9133 | View | CSV | PDB |
| 5.0 | -0.6462 | 4.7454 | View | CSV | PDB |
| 5.5 | -0.7314 | 4.5773 | View | CSV | PDB |
| 6.0 | -0.8088 | 4.4431 | View | CSV | PDB |
| 6.5 | -0.8693 | 4.3088 | View | CSV | PDB |
| 7.0 | -0.91 | 4.1753 | View | CSV | PDB |
| 7.5 | -0.9355 | 4.1392 | View | CSV | PDB |
| 8.0 | -0.9515 | 4.1316 | View | CSV | PDB |
| 8.5 | -0.9596 | 4.1291 | View | CSV | PDB |
| 9.0 | -0.9582 | 4.1283 | 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