| Chain sequence(s) |
A: SAEDKIKALMKELEALTDELIAAIKAGDWEKADALAAKGNALITEIEAIIGKNKLEKAREEFDKKLAELNARIDAAIAAA
B: MLLWVILLVLAPVSGQFARTPRPIIFLQPPWTTVFQGERVTLTCKGFRFYSPQKTKWYHRYLGKEILRETPDNILEVQESGEYRCQAQGSPLSSPVHLDFSSASLILQAPLSVFEGDSVVLRCRAKAEVTLNNTIYKNDNVLAFLNKRTDFHIPHACLKDNGAYRCTGYKESCCPVSSNTVKIQVQEPFTRPVLRASSFQPISGNPVTLTCETQLSLERSDVPLRFRFFRDDQTLGLGWSLSPNFQITAMWSKDSGFYWCKAATMPYSVISDSPRSWIQVQIPASHPVLTLSPEKALNFEGTKVTLHCETQEDSLRTLYRFYHEGVPLRHKSVRCERGASISFSLTTENSGNYYCTADNGLGAKPSKAVSLSVTVPVSHPVLNLSSPEDLIFEGAKVTLHCEAQRGSLPILYQFHHEGAALERRSANSAGGVAISFSLTAEHSGNYYCTADNGFGPQRSKAVSLSVTVPVSHPVLTLSSAEALTFEGATVTLHCEVQRGSPQILYQFYHEDMPLWSSSTPSVGRVSFSFSLTEGHSGNYYCTADNGFGPQRSEVVSLFVTVPVSRPILTLRVPRAQAVVGDLLELHCEAPRGSPPILYWFYHEDVTLGSSSAPSGGEASFNLSLTAEHSGNYSCEANNGLVAQHSDTISLSVIVPVSRPILTFRAPRAQAVVGDLLELHCEALRGSSPILYWFYHEDVTLGKISAPSGGGASFNLSLTTEHSGIYSCEADNGLEAQRSEMVTLKVAVPVSRPVLTLRAPGTHAAVGDLLELHCEALRGSPLILYRFFHEDVTLGNRSSPSGGASLNLSLTAEHSGNYSCEADNGLGAQRSETVTLYITGLTANRSGPFATGVAGGLLSIAGLAAGALLLYCWLSRKAGRKPASDPARSPSDSDSQEPTYHNVPAWEELQPVYTNANPRGENVVYSEVRIIQEKKKHAVASDPRHLRNKGSPIIYSEVKVASTPVSGSLFLASSAPHR input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[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 globular. Max 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 (00:23:10)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/203598037bfcdad/tmp/folded.pdb (00:23:10)
[INFO] Main: Simulation completed successfully. (00:33:55)
|
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 | -1.5456 | |
| 2 | A | A | -1.8480 | |
| 3 | E | A | -2.5706 | |
| 4 | D | A | -3.2444 | |
| 5 | K | A | -3.1678 | |
| 6 | I | A | 0.0000 | |
| 7 | K | A | -2.8768 | |
| 8 | A | A | -2.4465 | |
| 9 | L | A | -2.1819 | |
| 10 | M | A | 0.0000 | |
| 11 | K | A | -2.9576 | |
| 12 | E | A | -2.4364 | |
| 13 | L | A | 0.0000 | |
| 14 | E | A | -2.7252 | |
| 15 | A | A | -2.2469 | |
| 16 | L | A | 0.0000 | |
| 17 | T | A | 0.0000 | |
| 18 | D | A | -2.8655 | |
| 19 | E | A | -2.9888 | |
| 20 | L | A | 0.0000 | |
| 21 | I | A | -1.5611 | |
| 22 | A | A | -1.7676 | |
| 23 | A | A | 0.0000 | |
| 24 | I | A | 0.0000 | |
| 25 | K | A | -1.8539 | |
| 26 | A | A | -1.1700 | |
| 27 | G | A | -1.4451 | |
| 28 | D | A | -1.9913 | |
| 29 | W | A | -1.8478 | |
| 30 | E | A | -2.7669 | |
| 31 | K | A | -2.8391 | |
| 32 | A | A | 0.0000 | |
| 33 | D | A | -1.2545 | |
| 34 | A | A | -1.1830 | |
| 35 | L | A | -1.5114 | |
| 36 | A | A | 0.0000 | |
| 37 | A | A | -0.6811 | |
| 38 | K | A | -1.4068 | |
| 39 | G | A | 0.0000 | |
| 40 | N | A | -0.8600 | |
| 41 | A | A | -1.0295 | |
| 42 | L | A | -1.0199 | |
| 43 | I | A | 0.0000 | |
| 44 | T | A | -1.1787 | |
| 45 | E | A | -1.7354 | |
| 46 | I | A | 0.0000 | |
| 47 | E | A | -1.1113 | |
| 48 | A | A | -1.3339 | |
| 49 | I | A | -1.5439 | |
| 50 | I | A | 0.0000 | |
| 51 | G | A | 0.0000 | |
| 52 | K | A | -2.3888 | |
| 53 | N | A | -2.3701 | |
| 54 | K | A | -3.0790 | |
| 55 | L | A | -2.8728 | |
| 56 | E | A | -3.9057 | |
| 57 | K | A | -4.0369 | |
| 58 | A | A | 0.0000 | |
| 59 | R | A | -3.5723 | |
| 60 | E | A | -4.4992 | |
| 61 | E | A | -4.2565 | |
| 62 | F | A | 0.0000 | |
| 63 | D | A | -3.1868 | |
| 64 | K | A | -3.7475 | |
| 65 | K | A | -2.9067 | |
| 66 | L | A | 0.0000 | |
| 67 | A | A | -1.8934 | |
| 68 | E | A | -2.9114 | |
| 69 | L | A | 0.0000 | |
| 70 | N | A | 0.0000 | |
| 71 | A | A | -1.4424 | |
| 72 | R | A | -2.0164 | |
| 73 | I | A | 0.0000 | |
| 74 | D | A | -1.1575 | |
| 75 | A | A | -0.5711 | |
| 76 | A | A | 0.0000 | |
| 77 | I | A | -0.4319 | |
| 78 | A | A | -0.2964 | |
| 79 | A | A | -0.2071 | |
| 80 | A | A | -0.4505 | |
| 1 | M | B | 2.3902 | |
| 2 | L | B | 3.3937 | |
| 3 | L | B | 3.9872 | |
| 4 | W | B | 4.2324 | |
| 5 | V | B | 4.7125 | |
| 6 | I | B | 4.9571 | |
| 7 | L | B | 4.8131 | |
| 8 | L | B | 4.5480 | |
| 9 | V | B | 4.0800 | |
| 10 | L | B | 3.4087 | |
| 11 | A | B | 1.9994 | |
| 12 | P | B | 1.2287 | |
| 13 | V | B | 1.5021 | |
| 14 | S | B | 0.2832 | |
| 15 | G | B | -0.0040 | |
| 16 | Q | B | -0.5637 | |
| 17 | F | B | 0.5975 | |
| 18 | A | B | -0.3549 | |
| 19 | R | B | -1.6977 | |
| 20 | T | B | -1.2584 | |
| 21 | P | B | -1.3696 | |
| 22 | R | B | -1.9785 | |
| 23 | P | B | 0.0000 | |
| 24 | I | B | -0.5488 | |
| 25 | I | B | 0.0000 | |
| 26 | F | B | 0.3449 | |
| 27 | L | B | 0.0000 | |
| 28 | Q | B | -1.6208 | |
| 29 | P | B | -1.0664 | |
| 30 | P | B | -0.3765 | |
| 31 | W | B | 0.0000 | |
| 32 | T | B | -0.5579 | |
| 33 | T | B | 0.0000 | |
| 34 | V | B | 0.0000 | |
| 35 | F | B | 0.0000 | |
| 36 | Q | B | -2.6136 | |
| 37 | G | B | -2.2679 | |
| 38 | E | B | -2.4574 | |
| 39 | R | B | -3.6034 | |
| 40 | V | B | 0.0000 | |
| 41 | T | B | -1.4380 | |
| 42 | L | B | 0.0000 | |
| 43 | T | B | -0.1322 | |
| 44 | C | B | 0.0000 | |
| 45 | K | B | -0.9434 | |
| 46 | G | B | -0.9377 | |
| 47 | F | B | -0.1433 | |
| 48 | R | B | -1.1142 | |
| 49 | F | B | -0.1609 | |
| 50 | Y | B | 0.8009 | |
| 51 | S | B | -0.1589 | |
| 52 | P | B | -0.6158 | |
| 53 | Q | B | -1.1358 | |
| 54 | K | B | -2.1007 | |
| 55 | T | B | 0.0000 | |
| 56 | K | B | -2.1154 | |
| 57 | W | B | 0.0000 | |
| 58 | Y | B | -1.1718 | |
| 59 | H | B | 0.0000 | |
| 60 | R | B | -2.2161 | |
| 61 | Y | B | -0.7314 | |
| 62 | L | B | 0.4976 | |
| 63 | G | B | -1.0728 | |
| 64 | K | B | -2.4425 | |
| 65 | E | B | -2.6825 | |
| 66 | I | B | -1.1074 | |
| 67 | L | B | -1.1511 | |
| 68 | R | B | -2.5567 | |
| 69 | E | B | -3.0037 | |
| 70 | T | B | -1.8740 | |
| 71 | P | B | -1.4057 | |
| 72 | D | B | -1.3313 | |
| 73 | N | B | 0.0000 | |
| 74 | I | B | -0.0661 | |
| 75 | L | B | -0.9031 | |
| 76 | E | B | -2.4898 | |
| 77 | V | B | 0.0000 | |
| 78 | Q | B | -3.6092 | |
| 79 | E | B | -3.1969 | |
| 80 | S | B | -1.7965 | |
| 81 | G | B | -1.5725 | |
| 82 | E | B | 0.0000 | |
| 83 | Y | B | 0.0000 | |
| 84 | R | B | -0.9373 | |
| 85 | C | B | 0.0000 | |
| 86 | Q | B | -1.5146 | |
| 87 | A | B | 0.0000 | |
| 88 | Q | B | -1.5478 | |
| 89 | G | B | -1.1182 | |
| 90 | S | B | 0.0000 | |
| 91 | P | B | -1.1015 | |
| 92 | L | B | -0.7022 | |
| 93 | S | B | 0.0000 | |
| 94 | S | B | -0.7975 | |
| 95 | P | B | -0.7285 | |
| 96 | V | B | 0.0000 | |
| 97 | H | B | -1.4376 | |
| 98 | L | B | 0.0000 | |
| 99 | D | B | -2.2477 | |
| 100 | F | B | 0.0000 | |
| 101 | S | B | -1.2906 | |
| 102 | S | B | -0.9301 | |
| 103 | A | B | -0.4682 | |
| 104 | S | B | -0.7523 | |
| 105 | L | B | 0.0000 | |
| 106 | I | B | 0.0000 | |
| 107 | L | B | 0.0000 | |
| 108 | Q | B | 0.0000 | |
| 109 | A | B | 0.0000 | |
| 110 | P | B | 0.1909 | |
| 111 | L | B | 0.3114 | |
| 112 | S | B | -0.2161 | |
| 113 | V | B | 0.0000 | |
| 114 | F | B | 0.0000 | |
| 115 | E | B | -0.9195 | |
| 116 | G | B | -0.7608 | |
| 117 | D | B | -0.8898 | |
| 118 | S | B | -0.9138 | |
| 119 | V | B | 0.0000 | |
| 120 | V | B | -0.1454 | |
| 121 | L | B | 0.0000 | |
| 122 | R | B | -1.0029 | |
| 123 | C | B | 0.0000 | |
| 124 | R | B | -0.9120 | |
| 125 | A | B | -0.7365 | |
| 126 | K | B | -1.4050 | |
| 127 | A | B | -1.2538 | |
| 128 | E | B | -2.0189 | |
| 129 | V | B | 0.0000 | |
| 130 | T | B | -1.1594 | |
| 131 | L | B | -1.3564 | |
| 132 | N | B | -1.5640 | |
| 133 | N | B | 0.0000 | |
| 134 | T | B | 0.5041 | |
| 135 | I | B | 0.0000 | |
| 136 | Y | B | -0.2628 | |
| 137 | K | B | -1.5842 | |
| 138 | N | B | -2.6369 | |
| 139 | D | B | -2.6962 | |
| 140 | N | B | -1.7098 | |
| 141 | V | B | 0.9008 | |
| 142 | L | B | 0.9681 | |
| 143 | A | B | 1.4273 | |
| 144 | F | B | 1.3915 | |
| 145 | L | B | 0.0000 | |
| 146 | N | B | -2.2355 | |
| 147 | K | B | -2.8947 | |
| 148 | R | B | -2.6431 | |
| 149 | T | B | -1.8014 | |
| 150 | D | B | -1.2377 | |
| 151 | F | B | -0.3195 | |
| 152 | H | B | -1.0616 | |
| 153 | I | B | 0.0000 | |
| 154 | P | B | -1.0299 | |
| 155 | H | B | -1.4413 | |
| 156 | A | B | 0.0000 | |
| 157 | C | B | -0.4912 | |
| 158 | L | B | 0.1262 | |
| 159 | K | B | -1.1281 | |
| 160 | D | B | 0.0000 | |
| 161 | N | B | -1.4312 | |
| 162 | G | B | -1.7069 | |
| 163 | A | B | -2.0341 | |
| 164 | Y | B | 0.0000 | |
| 165 | R | B | -1.2200 | |
| 166 | C | B | 0.0000 | |
| 167 | T | B | 0.0787 | |
| 168 | G | B | 0.0000 | |
| 169 | Y | B | 0.0743 | |
| 170 | K | B | -1.0982 | |
| 171 | E | B | -1.9413 | |
| 172 | S | B | -0.9211 | |
| 173 | C | B | 0.3063 | |
| 174 | C | B | 0.3904 | |
| 175 | P | B | 0.1568 | |
| 176 | V | B | 0.3666 | |
| 177 | S | B | -0.1707 | |
| 178 | S | B | -0.4225 | |
| 179 | N | B | -0.8509 | |
| 180 | T | B | -1.1329 | |
| 181 | V | B | 0.0000 | |
| 182 | K | B | -2.2822 | |
| 183 | I | B | 0.0000 | |
| 184 | Q | B | -1.9916 | |
| 185 | V | B | 0.0000 | |
| 186 | Q | B | -1.7727 | |
| 187 | E | B | -2.0094 | |
| 188 | P | B | 0.0000 | |
| 189 | F | B | 0.0000 | |
| 190 | T | B | -1.7683 | |
| 191 | R | B | -2.2409 | |
| 192 | P | B | 0.0000 | |
| 193 | V | B | -0.9358 | |
| 194 | L | B | 0.0000 | |
| 195 | R | B | -1.8982 | |
| 196 | A | B | -1.0168 | |
| 197 | S | B | -0.7196 | |
| 198 | S | B | -0.4394 | |
| 199 | F | B | 0.2909 | |
| 200 | Q | B | -0.6250 | |
| 201 | P | B | 0.0000 | |
| 202 | I | B | 0.1186 | |
| 203 | S | B | -0.4414 | |
| 204 | G | B | -0.8857 | |
| 205 | N | B | -1.2607 | |
| 206 | P | B | -1.0635 | |
| 207 | V | B | 0.0000 | |
| 208 | T | B | -1.1228 | |
| 209 | L | B | 0.0000 | |
| 210 | T | B | -1.4966 | |
| 211 | C | B | 0.0000 | |
| 212 | E | B | -1.8469 | |
| 213 | T | B | -1.3624 | |
| 214 | Q | B | -1.4795 | |
| 215 | L | B | -1.1145 | |
| 216 | S | B | -0.9448 | |
| 217 | L | B | -0.6847 | |
| 218 | E | B | -1.0177 | |
| 219 | R | B | -1.0854 | |
| 220 | S | B | -1.1196 | |
| 221 | D | B | -1.8745 | |
| 222 | V | B | -0.7001 | |
| 223 | P | B | -0.1405 | |
| 224 | L | B | 0.2428 | |
| 225 | R | B | 0.0000 | |
| 226 | F | B | 0.0000 | |
| 227 | R | B | 0.0000 | |
| 228 | F | B | 0.0000 | |
| 229 | F | B | 0.0000 | |
| 230 | R | B | -0.9955 | |
| 231 | D | B | -1.5014 | |
| 232 | D | B | -2.1875 | |
| 233 | Q | B | -1.5732 | |
| 234 | T | B | 0.0000 | |
| 235 | L | B | -0.4415 | |
| 236 | G | B | 0.0000 | |
| 237 | L | B | 0.0000 | |
| 238 | G | B | 0.0000 | |
| 239 | W | B | 0.0000 | |
| 240 | S | B | 0.2723 | |
| 241 | L | B | 0.7780 | |
| 242 | S | B | 0.0062 | |
| 243 | P | B | -0.6162 | |
| 244 | N | B | -1.5781 | |
| 245 | F | B | -0.9586 | |
| 246 | Q | B | -1.4423 | |
| 247 | I | B | 0.0000 | |
| 248 | T | B | -1.0241 | |
| 249 | A | B | -0.9780 | |
| 250 | M | B | 0.0000 | |
| 251 | W | B | -1.0043 | |
| 252 | S | B | -0.8095 | |
| 253 | K | B | -1.7904 | |
| 254 | D | B | 0.0000 | |
| 255 | S | B | -0.5630 | |
| 256 | G | B | 0.0000 | |
| 257 | F | B | 0.4598 | |
| 258 | Y | B | 0.0000 | |
| 259 | W | B | 0.0000 | |
| 260 | C | B | 0.0000 | |
| 261 | K | B | -0.4250 | |
| 262 | A | B | 0.0000 | |
| 263 | A | B | 0.0000 | |
| 264 | T | B | 0.0000 | |
| 265 | M | B | 0.4986 | |
| 266 | P | B | 0.0173 | |
| 267 | Y | B | 0.4560 | |
| 268 | S | B | -0.0033 | |
| 269 | V | B | 0.0000 | |
| 270 | I | B | 0.7705 | |
| 271 | S | B | -0.4220 | |
| 272 | D | B | -0.7449 | |
| 273 | S | B | 0.0000 | |
| 274 | P | B | -0.7448 | |
| 275 | R | B | -0.8165 | |
| 276 | S | B | 0.0559 | |
| 277 | W | B | 0.9879 | |
| 278 | I | B | 0.0000 | |
| 279 | Q | B | -0.3813 | |
| 280 | V | B | 0.0000 | |
| 281 | Q | B | -0.1528 | |
| 282 | I | B | 0.5210 | |
| 283 | P | B | -0.0566 | |
| 284 | A | B | 0.0000 | |
| 285 | S | B | -0.9728 | |
| 286 | H | B | -1.4691 | |
| 287 | P | B | 0.0000 | |
| 288 | V | B | 0.8970 | |
| 289 | L | B | 0.0000 | |
| 290 | T | B | -0.0344 | |
| 291 | L | B | -0.6956 | |
| 292 | S | B | -1.3969 | |
| 293 | P | B | -1.6616 | |
| 294 | E | B | -2.5087 | |
| 295 | K | B | -2.2684 | |
| 296 | A | B | -0.9180 | |
| 297 | L | B | 0.7630 | |
| 298 | N | B | 0.1721 | |
| 299 | F | B | 0.6677 | |
| 300 | E | B | -0.4056 | |
| 301 | G | B | -0.7313 | |
| 302 | T | B | -0.6457 | |
| 303 | K | B | -1.8400 | |
| 304 | V | B | 0.0000 | |
| 305 | T | B | -0.7191 | |
| 306 | L | B | 0.0000 | |
| 307 | H | B | 0.0384 | |
| 308 | C | B | 0.0000 | |
| 309 | E | B | -0.7842 | |
| 310 | T | B | 0.0000 | |
| 311 | Q | B | -1.7382 | |
| 312 | E | B | -1.6122 | |
| 313 | D | B | -1.4477 | |
| 314 | S | B | -0.6886 | |
| 315 | L | B | 0.3125 | |
| 316 | R | B | -1.0250 | |
| 317 | T | B | 0.0000 | |
| 318 | L | B | 0.4818 | |
| 319 | Y | B | 0.0000 | |
| 320 | R | B | -1.5324 | |
| 321 | F | B | 0.0000 | |
| 322 | Y | B | -0.4343 | |
| 323 | H | B | -0.6310 | |
| 324 | E | B | -1.7223 | |
| 325 | G | B | -0.4685 | |
| 326 | V | B | 0.8292 | |
| 327 | P | B | -0.3157 | |
| 328 | L | B | -1.3156 | |
| 329 | R | B | -2.5611 | |
| 330 | H | B | -2.5630 | |
| 331 | K | B | -2.4655 | |
| 332 | S | B | -0.8986 | |
| 333 | V | B | 0.5804 | |
| 334 | R | B | -0.2915 | |
| 335 | C | B | -0.8047 | |
| 336 | E | B | -2.0004 | |
| 337 | R | B | -2.0368 | |
| 338 | G | B | 0.0000 | |
| 339 | A | B | 0.0000 | |
| 340 | S | B | -0.2443 | |
| 341 | I | B | 0.0000 | |
| 342 | S | B | -0.6708 | |
| 343 | F | B | -0.6714 | |
| 344 | S | B | -0.9334 | |
| 345 | L | B | 0.0000 | |
| 346 | T | B | -1.0295 | |
| 347 | T | B | -1.0620 | |
| 348 | E | B | -1.9687 | |
| 349 | N | B | -1.5486 | |
| 350 | S | B | -1.2936 | |
| 351 | G | B | -1.2720 | |
| 352 | N | B | -1.5308 | |
| 353 | Y | B | 0.0000 | |
| 354 | Y | B | -0.3952 | |
| 355 | C | B | 0.0000 | |
| 356 | T | B | 0.0000 | |
| 357 | A | B | 0.0000 | |
| 358 | D | B | -0.8995 | |
| 359 | N | B | -0.7254 | |
| 360 | G | B | -0.6923 | |
| 361 | L | B | 0.0839 | |
| 362 | G | B | -0.5106 | |
| 363 | A | B | -0.7203 | |
| 364 | K | B | -1.1359 | |
| 365 | P | B | -1.0056 | |
| 366 | S | B | -0.7296 | |
| 367 | K | B | -1.4454 | |
| 368 | A | B | -0.7877 | |
| 369 | V | B | -0.1192 | |
| 370 | S | B | -0.7052 | |
| 371 | L | B | 0.0000 | |
| 372 | S | B | -0.1485 | |
| 373 | V | B | -0.0435 | |
| 374 | T | B | 0.4059 | |
| 375 | V | B | 0.0000 | |
| 376 | P | B | -0.4201 | |
| 377 | V | B | 0.0000 | |
| 378 | S | B | -1.6212 | |
| 379 | H | B | -2.1882 | |
| 380 | P | B | 0.0000 | |
| 381 | V | B | -0.5086 | |
| 382 | L | B | 0.0000 | |
| 383 | N | B | -1.1420 | |
| 384 | L | B | -0.3878 | |
| 385 | S | B | -0.9472 | |
| 386 | S | B | -1.1259 | |
| 387 | P | B | -1.3795 | |
| 388 | E | B | -1.9165 | |
| 389 | D | B | -1.9048 | |
| 390 | L | B | -0.3258 | |
| 391 | I | B | -0.2143 | |
| 392 | F | B | -0.0044 | |
| 393 | E | B | -0.7169 | |
| 394 | G | B | -0.8336 | |
| 395 | A | B | 0.0000 | |
| 396 | K | B | -1.7588 | |
| 397 | V | B | 0.0000 | |
| 398 | T | B | -0.6207 | |
| 399 | L | B | 0.0000 | |
| 400 | H | B | -0.6667 | |
| 401 | C | B | 0.0000 | |
| 402 | E | B | -1.0326 | |
| 403 | A | B | -1.5285 | |
| 404 | Q | B | -2.0037 | |
| 405 | R | B | -2.0293 | |
| 406 | G | B | -0.9882 | |
| 407 | S | B | -0.1857 | |
| 408 | L | B | 0.0526 | |
| 409 | P | B | -0.3210 | |
| 410 | I | B | 0.0000 | |
| 411 | L | B | -0.5793 | |
| 412 | Y | B | 0.0000 | |
| 413 | Q | B | 0.0000 | |
| 414 | F | B | 0.0000 | |
| 415 | H | B | -1.0498 | |
| 416 | H | B | -1.3607 | |
| 417 | E | B | -2.1192 | |
| 418 | G | B | -1.2792 | |
| 419 | A | B | -0.5776 | |
| 420 | A | B | -0.7434 | |
| 421 | L | B | -0.9617 | |
| 422 | E | B | -2.5061 | |
| 423 | R | B | -2.9448 | |
| 424 | R | B | -2.3677 | |
| 425 | S | B | -1.2186 | |
| 426 | A | B | 0.0000 | |
| 427 | N | B | -1.3232 | |
| 428 | S | B | -0.7736 | |
| 429 | A | B | -0.8022 | |
| 430 | G | B | -0.8603 | |
| 431 | G | B | -0.8028 | |
| 432 | V | B | 0.0000 | |
| 433 | A | B | -0.6805 | |
| 434 | I | B | 0.0000 | |
| 435 | S | B | -0.4068 | |
| 436 | F | B | -0.3543 | |
| 437 | S | B | -0.8651 | |
| 438 | L | B | 0.0000 | |
| 439 | T | B | -1.0155 | |
| 440 | A | B | -1.2024 | |
| 441 | E | B | -2.0566 | |
| 442 | H | B | -1.5407 | |
| 443 | S | B | -1.3238 | |
| 444 | G | B | -1.2951 | |
| 445 | N | B | -1.5527 | |
| 446 | Y | B | 0.0000 | |
| 447 | Y | B | -1.1191 | |
| 448 | C | B | 0.0000 | |
| 449 | T | B | -1.3494 | |
| 450 | A | B | 0.0000 | |
| 451 | D | B | -0.7609 | |
| 452 | N | B | -0.2929 | |
| 453 | G | B | -0.3226 | |
| 454 | F | B | 0.1704 | |
| 455 | G | B | -0.5349 | |
| 456 | P | B | -1.0941 | |
| 457 | Q | B | -1.6671 | |
| 458 | R | B | -2.3985 | |
| 459 | S | B | 0.0000 | |
| 460 | K | B | -2.1046 | |
| 461 | A | B | -1.3123 | |
| 462 | V | B | -0.4453 | |
| 463 | S | B | -0.7137 | |
| 464 | L | B | 0.0000 | |
| 465 | S | B | -0.5163 | |
| 466 | V | B | 0.0000 | |
| 467 | T | B | 0.1605 | |
| 468 | V | B | -0.1635 | |
| 469 | P | B | -0.5183 | |
| 470 | V | B | 0.0000 | |
| 471 | S | B | -1.6207 | |
| 472 | H | B | -2.3156 | |
| 473 | P | B | 0.0000 | |
| 474 | V | B | -0.7493 | |
| 475 | L | B | 0.0000 | |
| 476 | T | B | 0.0491 | |
| 477 | L | B | 0.2627 | |
| 478 | S | B | -0.2355 | |
| 479 | S | B | -0.3790 | |
| 480 | A | B | -0.6504 | |
| 481 | E | B | -1.2340 | |
| 482 | A | B | -0.3092 | |
| 483 | L | B | 0.5899 | |
| 484 | T | B | 0.4992 | |
| 485 | F | B | 0.1954 | |
| 486 | E | B | -0.7867 | |
| 487 | G | B | -0.8472 | |
| 488 | A | B | -0.4646 | |
| 489 | T | B | -0.4898 | |
| 490 | V | B | 0.0000 | |
| 491 | T | B | -0.0094 | |
| 492 | L | B | 0.0000 | |
| 493 | H | B | -0.7404 | |
| 494 | C | B | 0.0000 | |
| 495 | E | B | -2.2937 | |
| 496 | V | B | 0.0000 | |
| 497 | Q | B | -2.2677 | |
| 498 | R | B | -2.0071 | |
| 499 | G | B | -1.1824 | |
| 500 | S | B | -0.7260 | |
| 501 | P | B | -1.1768 | |
| 502 | Q | B | -1.4512 | |
| 503 | I | B | 0.0000 | |
| 504 | L | B | -0.0164 | |
| 505 | Y | B | 0.0000 | |
| 506 | Q | B | -0.1829 | |
| 507 | F | B | 0.0000 | |
| 508 | Y | B | -0.5177 | |
| 509 | H | B | 0.0000 | |
| 510 | E | B | -2.5262 | |
| 511 | D | B | -2.3475 | |
| 512 | M | B | -0.5978 | |
| 513 | P | B | -0.2782 | |
| 514 | L | B | 0.2862 | |
| 515 | W | B | 0.6052 | |
| 516 | S | B | 0.1853 | |
| 517 | S | B | 0.0798 | |
| 518 | S | B | -0.4337 | |
| 519 | T | B | -0.6639 | |
| 520 | P | B | -0.7539 | |
| 521 | S | B | -0.7958 | |
| 522 | V | B | -0.9654 | |
| 523 | G | B | -1.6863 | |
| 524 | R | B | -2.4532 | |
| 525 | V | B | 0.0000 | |
| 526 | S | B | -0.6412 | |
| 527 | F | B | 0.2797 | |
| 528 | S | B | 0.0067 | |
| 529 | F | B | -0.0191 | |
| 530 | S | B | -0.3815 | |
| 531 | L | B | 0.0000 | |
| 532 | T | B | -1.3735 | |
| 533 | E | B | -1.9855 | |
| 534 | G | B | -1.3209 | |
| 535 | H | B | -1.0638 | |
| 536 | S | B | -0.5440 | |
| 537 | G | B | -0.5768 | |
| 538 | N | B | -1.0750 | |
| 539 | Y | B | 0.0000 | |
| 540 | Y | B | 0.0000 | |
| 541 | C | B | 0.0000 | |
| 542 | T | B | 0.0000 | |
| 543 | A | B | 0.0000 | |
| 544 | D | B | -1.0479 | |
| 545 | N | B | -0.7625 | |
| 546 | G | B | -0.5357 | |
| 547 | F | B | 0.1562 | |
| 548 | G | B | -0.6035 | |
| 549 | P | B | -1.2325 | |
| 550 | Q | B | -1.9364 | |
| 551 | R | B | -2.5888 | |
| 552 | S | B | 0.0000 | |
| 553 | E | B | -1.4003 | |
| 554 | V | B | 0.0245 | |
| 555 | V | B | 0.3879 | |
| 556 | S | B | 0.2740 | |
| 557 | L | B | 0.0000 | |
| 558 | F | B | 1.5408 | |
| 559 | V | B | 0.0000 | |
| 560 | T | B | 0.2355 | |
| 561 | V | B | 0.0000 | |
| 562 | P | B | -0.5743 | |
| 563 | V | B | 0.0000 | |
| 564 | S | B | -1.5856 | |
| 565 | R | B | -2.5794 | |
| 566 | P | B | 0.0000 | |
| 567 | I | B | 0.4411 | |
| 568 | L | B | 0.0000 | |
| 569 | T | B | -0.3694 | |
| 570 | L | B | -1.0177 | |
| 571 | R | B | -2.4444 | |
| 572 | V | B | -1.4053 | |
| 573 | P | B | -1.4584 | |
| 574 | R | B | -2.2654 | |
| 575 | A | B | -1.5328 | |
| 576 | Q | B | -1.8396 | |
| 577 | A | B | 0.0000 | |
| 578 | V | B | 0.0000 | |
| 579 | V | B | 0.4651 | |
| 580 | G | B | 0.0632 | |
| 581 | D | B | 0.0000 | |
| 582 | L | B | -0.3361 | |
| 583 | L | B | 0.0000 | |
| 584 | E | B | -1.9449 | |
| 585 | L | B | 0.0000 | |
| 586 | H | B | -1.1712 | |
| 587 | C | B | 0.0000 | |
| 588 | E | B | -1.7015 | |
| 589 | A | B | 0.0000 | |
| 590 | P | B | -1.5038 | |
| 591 | R | B | -2.1137 | |
| 592 | G | B | -1.4927 | |
| 593 | S | B | -0.9037 | |
| 594 | P | B | -0.8684 | |
| 595 | P | B | -0.7239 | |
| 596 | I | B | 0.0000 | |
| 597 | L | B | 0.0136 | |
| 598 | Y | B | 0.0000 | |
| 599 | W | B | 0.2507 | |
| 600 | F | B | 0.0000 | |
| 601 | Y | B | -0.2115 | |
| 602 | H | B | -0.9326 | |
| 603 | E | B | -2.3960 | |
| 604 | D | B | -1.8465 | |
| 605 | V | B | 0.4184 | |
| 606 | T | B | 0.3411 | |
| 607 | L | B | 0.3261 | |
| 608 | G | B | 0.2525 | |
| 609 | S | B | 0.1255 | |
| 610 | S | B | -0.2123 | |
| 611 | S | B | -0.5615 | |
| 612 | A | B | 0.0000 | |
| 613 | P | B | -0.6118 | |
| 614 | S | B | -0.8202 | |
| 615 | G | B | -1.3525 | |
| 616 | G | B | -1.9198 | |
| 617 | E | B | -2.2844 | |
| 618 | A | B | 0.0000 | |
| 619 | S | B | -1.0961 | |
| 620 | F | B | -0.5875 | |
| 621 | N | B | -1.5542 | |
| 622 | L | B | -0.5461 | |
| 623 | S | B | -0.3169 | |
| 624 | L | B | 0.0000 | |
| 625 | T | B | -0.3844 | |
| 626 | A | B | -0.6479 | |
| 627 | E | B | -1.8642 | |
| 628 | H | B | -1.2829 | |
| 629 | S | B | -1.0781 | |
| 630 | G | B | -1.2162 | |
| 631 | N | B | -1.6634 | |
| 632 | Y | B | 0.0000 | |
| 633 | S | B | -0.9509 | |
| 634 | C | B | 0.0000 | |
| 635 | E | B | -0.9693 | |
| 636 | A | B | 0.0000 | |
| 637 | N | B | -0.6710 | |
| 638 | N | B | -0.4241 | |
| 639 | G | B | -0.2539 | |
| 640 | L | B | 0.5037 | |
| 641 | V | B | 0.5250 | |
| 642 | A | B | -0.4831 | |
| 643 | Q | B | -1.6863 | |
| 644 | H | B | -1.9314 | |
| 645 | S | B | 0.0000 | |
| 646 | D | B | -1.9083 | |
| 647 | T | B | -1.0109 | |
| 648 | I | B | -0.1455 | |
| 649 | S | B | -0.4296 | |
| 650 | L | B | -0.2620 | |
| 651 | S | B | -0.6291 | |
| 652 | V | B | 0.0000 | |
| 653 | I | B | 0.2499 | |
| 654 | V | B | 0.2893 | |
| 655 | P | B | -0.7717 | |
| 656 | V | B | 0.0000 | |
| 657 | S | B | -1.5777 | |
| 658 | R | B | -2.5255 | |
| 659 | P | B | 0.0000 | |
| 660 | I | B | 0.3446 | |
| 661 | L | B | 0.0000 | |
| 662 | T | B | -0.2404 | |
| 663 | F | B | -0.8729 | |
| 664 | R | B | -2.2508 | |
| 665 | A | B | -1.4832 | |
| 666 | P | B | -1.3935 | |
| 667 | R | B | -2.0904 | |
| 668 | A | B | -1.3827 | |
| 669 | Q | B | -1.5936 | |
| 670 | A | B | 0.0000 | |
| 671 | V | B | 0.0000 | |
| 672 | V | B | 0.2174 | |
| 673 | G | B | 0.0537 | |
| 674 | D | B | 0.0000 | |
| 675 | L | B | 0.0410 | |
| 676 | L | B | 0.0000 | |
| 677 | E | B | -1.5644 | |
| 678 | L | B | 0.0000 | |
| 679 | H | B | -0.8547 | |
| 680 | C | B | 0.0000 | |
| 681 | E | B | -0.7874 | |
| 682 | A | B | 0.0000 | |
| 683 | L | B | 0.1982 | |
| 684 | R | B | -1.5825 | |
| 685 | G | B | -0.9219 | |
| 686 | S | B | -0.6287 | |
| 687 | S | B | -0.8402 | |
| 688 | P | B | -0.7779 | |
| 689 | I | B | 0.0000 | |
| 690 | L | B | -0.4370 | |
| 691 | Y | B | 0.0000 | |
| 692 | W | B | -0.4219 | |
| 693 | F | B | 0.0000 | |
| 694 | Y | B | -0.0918 | |
| 695 | H | B | -0.3491 | |
| 696 | E | B | -1.5253 | |
| 697 | D | B | -1.5498 | |
| 698 | V | B | 0.5024 | |
| 699 | T | B | 0.1177 | |
| 700 | L | B | 0.0451 | |
| 701 | G | B | -0.3772 | |
| 702 | K | B | -1.2644 | |
| 703 | I | B | -0.2430 | |
| 704 | S | B | -0.4860 | |
| 705 | A | B | 0.0000 | |
| 706 | P | B | -0.5812 | |
| 707 | S | B | -0.6381 | |
| 708 | G | B | -0.8438 | |
| 709 | G | B | -0.8177 | |
| 710 | G | B | -0.3623 | |
| 711 | A | B | 0.0000 | |
| 712 | S | B | -0.8995 | |
| 713 | F | B | -0.6112 | |
| 714 | N | B | -1.3449 | |
| 715 | L | B | -0.4031 | |
| 716 | S | B | -0.1541 | |
| 717 | L | B | 0.0000 | |
| 718 | T | B | -0.4796 | |
| 719 | T | B | -1.0699 | |
| 720 | E | B | -2.0745 | |
| 721 | H | B | -1.4329 | |
| 722 | S | B | -1.4392 | |
| 723 | G | B | -0.8412 | |
| 724 | I | B | -0.3090 | |
| 725 | Y | B | 0.0000 | |
| 726 | S | B | 0.0000 | |
| 727 | C | B | 0.0000 | |
| 728 | E | B | -1.4801 | |
| 729 | A | B | 0.0000 | |
| 730 | D | B | -1.4693 | |
| 731 | N | B | -0.9096 | |
| 732 | G | B | -1.0236 | |
| 733 | L | B | -0.9145 | |
| 734 | E | B | -2.0623 | |
| 735 | A | B | -1.7822 | |
| 736 | Q | B | -2.3740 | |
| 737 | R | B | -2.1518 | |
| 738 | S | B | 0.0000 | |
| 739 | E | B | -1.4299 | |
| 740 | M | B | 0.3382 | |
| 741 | V | B | 0.7526 | |
| 742 | T | B | 0.0187 | |
| 743 | L | B | 0.0000 | |
| 744 | K | B | -2.0293 | |
| 745 | V | B | 0.0000 | |
| 746 | A | B | 0.0000 | |
| 747 | V | B | -0.1356 | |
| 748 | P | B | -0.6240 | |
| 749 | V | B | 0.0000 | |
| 750 | S | B | -1.3312 | |
| 751 | R | B | -2.3052 | |
| 752 | P | B | 0.0000 | |
| 753 | V | B | 0.8026 | |
| 754 | L | B | 0.0000 | |
| 755 | T | B | -0.3649 | |
| 756 | L | B | -1.2697 | |
| 757 | R | B | -2.2965 | |
| 758 | A | B | -1.5044 | |
| 759 | P | B | -1.0559 | |
| 760 | G | B | -1.0368 | |
| 761 | T | B | -0.4582 | |
| 762 | H | B | -0.5938 | |
| 763 | A | B | 0.0000 | |
| 764 | A | B | 0.6140 | |
| 765 | V | B | 1.1949 | |
| 766 | G | B | 0.2244 | |
| 767 | D | B | 0.0402 | |
| 768 | L | B | 0.1093 | |
| 769 | L | B | 0.0000 | |
| 770 | E | B | -2.2065 | |
| 771 | L | B | 0.0000 | |
| 772 | H | B | -0.9471 | |
| 773 | C | B | 0.0000 | |
| 774 | E | B | -0.3590 | |
| 775 | A | B | -0.5488 | |
| 776 | L | B | 0.3322 | |
| 777 | R | B | -1.5976 | |
| 778 | G | B | -0.8047 | |
| 779 | S | B | -0.3589 | |
| 780 | P | B | -0.0072 | |
| 781 | L | B | 0.7818 | |
| 782 | I | B | 0.0000 | |
| 783 | L | B | -0.2194 | |
| 784 | Y | B | 0.0000 | |
| 785 | R | B | -1.2195 | |
| 786 | F | B | 0.0000 | |
| 787 | F | B | 0.0000 | |
| 788 | H | B | -1.0661 | |
| 789 | E | B | -2.3452 | |
| 790 | D | B | -1.8730 | |
| 791 | V | B | 0.3968 | |
| 792 | T | B | 0.0051 | |
| 793 | L | B | 0.0449 | |
| 794 | G | B | -0.6316 | |
| 795 | N | B | -1.6067 | |
| 796 | R | B | -1.6450 | |
| 797 | S | B | -0.7079 | |
| 798 | S | B | -0.3640 | |
| 799 | P | B | -0.1272 | |
| 800 | S | B | -0.5676 | |
| 801 | G | B | -0.6957 | |
| 802 | G | B | -0.3719 | |
| 803 | A | B | 0.0000 | |
| 804 | S | B | -1.4664 | |
| 805 | L | B | 0.0000 | |
| 806 | N | B | -1.5536 | |
| 807 | L | B | -0.5975 | |
| 808 | S | B | -0.2406 | |
| 809 | L | B | 0.0000 | |
| 810 | T | B | -0.1642 | |
| 811 | A | B | -0.3651 | |
| 812 | E | B | -1.6860 | |
| 813 | H | B | -0.9675 | |
| 814 | S | B | -0.6001 | |
| 815 | G | B | -0.8270 | |
| 816 | N | B | -1.3529 | |
| 817 | Y | B | 0.0000 | |
| 818 | S | B | 0.0000 | |
| 819 | C | B | 0.0000 | |
| 820 | E | B | -1.3898 | |
| 821 | A | B | 0.0000 | |
| 822 | D | B | -0.8553 | |
| 823 | N | B | -0.2287 | |
| 824 | G | B | -0.4044 | |
| 825 | L | B | -0.2889 | |
| 826 | G | B | -0.5558 | |
| 827 | A | B | -1.0588 | |
| 828 | Q | B | -1.7230 | |
| 829 | R | B | -1.9147 | |
| 830 | S | B | 0.0000 | |
| 831 | E | B | -1.8704 | |
| 832 | T | B | -1.0443 | |
| 833 | V | B | -0.0981 | |
| 834 | T | B | -0.2283 | |
| 835 | L | B | 0.0000 | |
| 836 | Y | B | 0.7135 | |
| 837 | I | B | 0.6384 | |
| 838 | T | B | 0.6063 | |
| 839 | G | B | 0.5986 | |
| 840 | L | B | 1.3286 | |
| 841 | T | B | 0.3385 | |
| 842 | A | B | -0.6590 | |
| 843 | N | B | -2.1821 | |
| 844 | R | B | -2.6615 | |
| 845 | S | B | -1.7988 | |
| 846 | G | B | -0.6744 | |
| 847 | P | B | 0.4311 | |
| 848 | F | B | 1.7275 | |
| 849 | A | B | 0.8571 | |
| 850 | T | B | 0.5224 | |
| 851 | G | B | 0.3834 | |
| 852 | V | B | 1.4643 | |
| 853 | A | B | 0.6009 | |
| 854 | G | B | 0.0194 | |
| 855 | G | B | 0.3809 | |
| 856 | L | B | 1.9474 | |
| 857 | L | B | 2.5735 | |
| 858 | S | B | 1.9333 | |
| 859 | I | B | 2.1833 | |
| 860 | A | B | 1.2337 | |
| 861 | G | B | 0.8134 | |
| 862 | L | B | 1.3214 | |
| 863 | A | B | 0.6583 | |
| 864 | A | B | 0.3830 | |
| 865 | G | B | 0.0887 | |
| 866 | A | B | 1.1326 | |
| 867 | L | B | 2.7668 | |
| 868 | L | B | 3.4618 | |
| 869 | L | B | 3.6318 | |
| 870 | Y | B | 3.2326 | |
| 871 | C | B | 2.7181 | |
| 872 | W | B | 2.7327 | |
| 873 | L | B | 1.6115 | |
| 874 | S | B | -0.3761 | |
| 875 | R | B | -2.4972 | |
| 876 | K | B | -2.5658 | |
| 877 | A | B | -1.8085 | |
| 878 | G | B | -2.2330 | |
| 879 | R | B | -3.0398 | |
| 880 | K | B | -2.9211 | |
| 881 | P | B | -1.4818 | |
| 882 | A | B | -0.9100 | |
| 883 | S | B | -1.2962 | |
| 884 | D | B | -2.0054 | |
| 885 | P | B | -1.5454 | |
| 886 | A | B | -1.3726 | |
| 887 | R | B | -2.0479 | |
| 888 | S | B | -1.4113 | |
| 889 | P | B | -1.2737 | |
| 890 | S | B | -1.4480 | |
| 891 | D | B | -2.4431 | |
| 892 | S | B | -2.2596 | |
| 893 | D | B | -2.8755 | |
| 894 | S | B | -2.2012 | |
| 895 | Q | B | -2.7426 | |
| 896 | E | B | -2.6411 | |
| 897 | P | B | -1.3494 | |
| 898 | T | B | -0.5559 | |
| 899 | Y | B | 0.4324 | |
| 900 | H | B | -0.5577 | |
| 901 | N | B | -0.6215 | |
| 902 | V | B | 1.0881 | |
| 903 | P | B | 0.2193 | |
| 904 | A | B | 0.0307 | |
| 905 | W | B | 0.2480 | |
| 906 | E | B | -1.8716 | |
| 907 | E | B | -2.0359 | |
| 908 | L | B | -0.0771 | |
| 909 | Q | B | -0.6877 | |
| 910 | P | B | 0.5626 | |
| 911 | V | B | 2.0002 | |
| 912 | Y | B | 1.5494 | |
| 913 | T | B | 0.2961 | |
| 914 | N | B | -1.0842 | |
| 915 | A | B | -1.3326 | |
| 916 | N | B | -2.3627 | |
| 917 | P | B | -2.2417 | |
| 918 | R | B | -3.1232 | |
| 919 | G | B | -2.6536 | |
| 920 | E | B | -2.4519 | |
| 921 | N | B | -0.9653 | |
| 922 | V | B | 1.8222 | |
| 923 | V | B | 2.3804 | |
| 924 | Y | B | 2.1235 | |
| 925 | S | B | 0.5538 | |
| 926 | E | B | -0.7534 | |
| 927 | V | B | 0.9174 | |
| 928 | R | B | -0.1182 | |
| 929 | I | B | 1.7806 | |
| 930 | I | B | 1.3730 | |
| 931 | Q | B | -1.4013 | |
| 932 | E | B | -2.9461 | |
| 933 | K | B | -4.0675 | |
| 934 | K | B | -4.0918 | |
| 935 | K | B | -3.4817 | |
| 936 | H | B | -1.9068 | |
| 937 | A | B | -0.1751 | |
| 938 | V | B | 1.1085 | |
| 939 | A | B | 0.2642 | |
| 940 | S | B | -0.8501 | |
| 941 | D | B | -2.3968 | |
| 942 | P | B | -2.0648 | |
| 943 | R | B | -2.7516 | |
| 944 | H | B | -2.0142 | |
| 945 | L | B | -0.8464 | |
| 946 | R | B | -2.6568 | |
| 947 | N | B | -2.8199 | |
| 948 | K | B | -2.9204 | |
| 949 | G | B | -1.7130 | |
| 950 | S | B | -0.3997 | |
| 951 | P | B | 1.0395 | |
| 952 | I | B | 3.0538 | |
| 953 | I | B | 3.2553 | |
| 954 | Y | B | 2.4043 | |
| 955 | S | B | 0.6365 | |
| 956 | E | B | -0.7213 | |
| 957 | V | B | 0.6513 | |
| 958 | K | B | -0.5335 | |
| 959 | V | B | 1.1448 | |
| 960 | A | B | 0.5183 | |
| 961 | S | B | 0.1686 | |
| 962 | T | B | 0.3072 | |
| 963 | P | B | 0.4095 | |
| 964 | V | B | 1.3643 | |
| 965 | S | B | 0.4673 | |
| 966 | G | B | 0.3450 | |
| 967 | S | B | 1.0681 | |
| 968 | L | B | 2.6056 | |
| 969 | F | B | 3.3959 | |
| 970 | L | B | 2.8478 | |
| 971 | A | B | 1.1251 | |
| 972 | S | B | 0.0653 | |
| 973 | S | B | -0.3405 | |
| 974 | A | B | -0.4150 | |
| 975 | P | B | -1.1813 | |
| 976 | H | B | -2.0303 | |
| 977 | R | B | -2.4014 |
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 | -0.4331 | 6.9811 | View | CSV | PDB |
| 4.5 | -0.4939 | 6.9811 | View | CSV | PDB |
| 5.0 | -0.5691 | 6.9811 | View | CSV | PDB |
| 5.5 | -0.6435 | 6.9811 | View | CSV | PDB |
| 6.0 | -0.7009 | 6.9811 | View | CSV | PDB |
| 6.5 | -0.7306 | 6.9811 | View | CSV | PDB |
| 7.0 | -0.7337 | 6.9811 | View | CSV | PDB |
| 7.5 | -0.7205 | 6.9811 | View | CSV | PDB |
| 8.0 | -0.6995 | 6.9811 | View | CSV | PDB |
| 8.5 | -0.6737 | 6.9811 | View | CSV | PDB |
| 9.0 | -0.6427 | 6.9811 | 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