| Chain sequence(s) |
A: SPVLEEAKKLIEETLKKIKEIYNDKSLTKEEKREEVQKLSEETTKKLDELAKKLSDEDLLELTELLEKANKELTELEAKA
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] (00:00:00)
[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-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:06)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:26:07)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/1baeb4f600748a2/tmp/folded.pdb (00:26:07)
[INFO] Main: Simulation completed successfully. (00:34:15)
|
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 | -1.1200 | |
| 2 | P | A | -1.3593 | |
| 3 | V | A | -1.8817 | |
| 4 | L | A | 0.0000 | |
| 5 | E | A | -3.4529 | |
| 6 | E | A | -3.4404 | |
| 7 | A | A | 0.0000 | |
| 8 | K | A | -3.5039 | |
| 9 | K | A | -4.1475 | |
| 10 | L | A | -3.1462 | |
| 11 | I | A | 0.0000 | |
| 12 | E | A | -3.9000 | |
| 13 | E | A | -4.0942 | |
| 14 | T | A | 0.0000 | |
| 15 | L | A | -2.9314 | |
| 16 | K | A | -3.9861 | |
| 17 | K | A | -3.5565 | |
| 18 | I | A | 0.0000 | |
| 19 | K | A | -3.5743 | |
| 20 | E | A | -3.8553 | |
| 21 | I | A | -2.9059 | |
| 22 | Y | A | 0.0000 | |
| 23 | N | A | -3.2500 | |
| 24 | D | A | -2.9944 | |
| 25 | K | A | -2.8108 | |
| 26 | S | A | -1.5998 | |
| 27 | L | A | -1.8397 | |
| 28 | T | A | -2.2319 | |
| 29 | K | A | -3.1973 | |
| 30 | E | A | -3.2792 | |
| 31 | E | A | -3.2059 | |
| 32 | K | A | -3.2810 | |
| 33 | R | A | -2.8719 | |
| 34 | E | A | -3.7012 | |
| 35 | E | A | -3.1031 | |
| 36 | V | A | 0.0000 | |
| 37 | Q | A | -2.6369 | |
| 38 | K | A | -3.2899 | |
| 39 | L | A | -2.2039 | |
| 40 | S | A | 0.0000 | |
| 41 | E | A | -2.9907 | |
| 42 | E | A | -3.4755 | |
| 43 | T | A | 0.0000 | |
| 44 | T | A | 0.0000 | |
| 45 | K | A | -3.8181 | |
| 46 | K | A | -3.5236 | |
| 47 | L | A | 0.0000 | |
| 48 | D | A | -3.0926 | |
| 49 | E | A | -3.8539 | |
| 50 | L | A | 0.0000 | |
| 51 | A | A | -2.6044 | |
| 52 | K | A | -3.3288 | |
| 53 | K | A | -3.0477 | |
| 54 | L | A | -2.1271 | |
| 55 | S | A | -2.2867 | |
| 56 | D | A | -3.1351 | |
| 57 | E | A | -2.9932 | |
| 58 | D | A | -2.4494 | |
| 59 | L | A | -2.0536 | |
| 60 | L | A | -1.6714 | |
| 61 | E | A | -2.3436 | |
| 62 | L | A | 0.0000 | |
| 63 | T | A | 0.0000 | |
| 64 | E | A | -2.0662 | |
| 65 | L | A | -1.6184 | |
| 66 | L | A | 0.0000 | |
| 67 | E | A | -2.1232 | |
| 68 | K | A | -2.9044 | |
| 69 | A | A | 0.0000 | |
| 70 | N | A | -2.2412 | |
| 71 | K | A | -3.3930 | |
| 72 | E | A | -3.0086 | |
| 73 | L | A | -1.9824 | |
| 74 | T | A | -2.3504 | |
| 75 | E | A | -3.1376 | |
| 76 | L | A | 0.0000 | |
| 77 | E | A | -1.9815 | |
| 78 | A | A | -1.6072 | |
| 79 | K | A | -2.3337 | |
| 80 | A | A | -1.8927 | |
| 1 | M | B | 2.4050 | |
| 2 | L | B | 3.4159 | |
| 3 | L | B | 4.0310 | |
| 4 | W | B | 4.2894 | |
| 5 | V | B | 4.7655 | |
| 6 | I | B | 5.0187 | |
| 7 | L | B | 4.8665 | |
| 8 | L | B | 4.6346 | |
| 9 | V | B | 4.1093 | |
| 10 | L | B | 3.4743 | |
| 11 | A | B | 2.0580 | |
| 12 | P | B | 1.2553 | |
| 13 | V | B | 1.5083 | |
| 14 | S | B | 0.3082 | |
| 15 | G | B | 0.0300 | |
| 16 | Q | B | -0.5794 | |
| 17 | F | B | 0.5911 | |
| 18 | A | B | -0.3898 | |
| 19 | R | B | -1.7454 | |
| 20 | T | B | -0.8506 | |
| 21 | P | B | -0.9585 | |
| 22 | R | B | -1.8468 | |
| 23 | P | B | 0.0000 | |
| 24 | I | B | -0.2522 | |
| 25 | I | B | 0.0000 | |
| 26 | F | B | 0.2498 | |
| 27 | L | B | 0.0000 | |
| 28 | Q | B | -1.6174 | |
| 29 | P | B | -1.1086 | |
| 30 | P | B | -0.4269 | |
| 31 | W | B | 0.0000 | |
| 32 | T | B | -0.6720 | |
| 33 | T | B | 0.0000 | |
| 34 | V | B | 0.0000 | |
| 35 | F | B | 0.0000 | |
| 36 | Q | B | -2.6495 | |
| 37 | G | B | -2.2250 | |
| 38 | E | B | -2.3486 | |
| 39 | R | B | -3.2218 | |
| 40 | V | B | 0.0000 | |
| 41 | T | B | -1.3779 | |
| 42 | L | B | 0.0000 | |
| 43 | T | B | -0.1692 | |
| 44 | C | B | 0.0000 | |
| 45 | K | B | -0.1499 | |
| 46 | G | B | -0.0495 | |
| 47 | F | B | 1.3498 | |
| 48 | R | B | 0.1348 | |
| 49 | F | B | 1.9041 | |
| 50 | Y | B | 1.6751 | |
| 51 | S | B | 0.2284 | |
| 52 | P | B | -0.7001 | |
| 53 | Q | B | -1.5711 | |
| 54 | K | B | -2.4574 | |
| 55 | T | B | 0.0000 | |
| 56 | K | B | -2.2598 | |
| 57 | W | B | 0.0000 | |
| 58 | Y | B | -1.1754 | |
| 59 | H | B | 0.0000 | |
| 60 | R | B | -2.1174 | |
| 61 | Y | B | -0.7898 | |
| 62 | L | B | 0.5002 | |
| 63 | G | B | -1.0929 | |
| 64 | K | B | -2.4838 | |
| 65 | E | B | -2.7583 | |
| 66 | I | B | -1.2514 | |
| 67 | L | B | -1.1957 | |
| 68 | R | B | -2.5813 | |
| 69 | E | B | -3.0741 | |
| 70 | T | B | -1.9849 | |
| 71 | P | B | -1.5254 | |
| 72 | D | B | -1.4811 | |
| 73 | N | B | -0.8009 | |
| 74 | I | B | -0.1433 | |
| 75 | L | B | -0.9339 | |
| 76 | E | B | -2.3957 | |
| 77 | V | B | 0.0000 | |
| 78 | Q | B | -3.6308 | |
| 79 | E | B | -3.3636 | |
| 80 | S | B | -2.0600 | |
| 81 | G | B | -1.7127 | |
| 82 | E | B | 0.0000 | |
| 83 | Y | B | 0.0000 | |
| 84 | R | B | -0.8221 | |
| 85 | C | B | 0.0000 | |
| 86 | Q | B | -1.5217 | |
| 87 | A | B | 0.0000 | |
| 88 | Q | B | -1.8791 | |
| 89 | G | B | -1.0652 | |
| 90 | S | B | 0.0000 | |
| 91 | P | B | -1.0905 | |
| 92 | L | B | -0.5371 | |
| 93 | S | B | 0.0000 | |
| 94 | S | B | -0.7467 | |
| 95 | P | B | -0.6983 | |
| 96 | V | B | 0.0000 | |
| 97 | H | B | -1.5247 | |
| 98 | L | B | 0.0000 | |
| 99 | D | B | -2.6120 | |
| 100 | F | B | 0.0000 | |
| 101 | S | B | -1.4055 | |
| 102 | S | B | -0.9284 | |
| 103 | A | B | -0.4279 | |
| 104 | S | B | -0.6485 | |
| 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 | 0.1082 | |
| 111 | L | B | 0.1714 | |
| 112 | S | B | -0.1538 | |
| 113 | V | B | 0.0000 | |
| 114 | F | B | 0.0000 | |
| 115 | E | B | -1.0350 | |
| 116 | G | B | -0.6506 | |
| 117 | D | B | -0.7502 | |
| 118 | S | B | -0.7121 | |
| 119 | V | B | 0.0000 | |
| 120 | V | B | -0.1237 | |
| 121 | L | B | 0.0000 | |
| 122 | R | B | -1.0429 | |
| 123 | C | B | 0.0000 | |
| 124 | R | B | -0.9632 | |
| 125 | A | B | -0.6364 | |
| 126 | K | B | -1.1853 | |
| 127 | A | B | -0.9549 | |
| 128 | E | B | -1.8046 | |
| 129 | V | B | 0.0000 | |
| 130 | T | B | -1.1086 | |
| 131 | L | B | -1.6353 | |
| 132 | N | B | -1.8552 | |
| 133 | N | B | 0.0000 | |
| 134 | T | B | 0.4437 | |
| 135 | I | B | 0.0000 | |
| 136 | Y | B | -0.2631 | |
| 137 | K | B | -1.6198 | |
| 138 | N | B | -2.6363 | |
| 139 | D | B | -2.6893 | |
| 140 | N | B | -1.7082 | |
| 141 | V | B | 0.8754 | |
| 142 | L | B | 0.9915 | |
| 143 | A | B | 1.4322 | |
| 144 | F | B | 1.3067 | |
| 145 | L | B | 0.0000 | |
| 146 | N | B | -2.5037 | |
| 147 | K | B | -3.2695 | |
| 148 | R | B | -3.1352 | |
| 149 | T | B | -2.0764 | |
| 150 | D | B | -1.3373 | |
| 151 | F | B | -0.2790 | |
| 152 | H | B | -0.7543 | |
| 153 | I | B | 0.0000 | |
| 154 | P | B | -0.7979 | |
| 155 | H | B | -1.0681 | |
| 156 | A | B | 0.0000 | |
| 157 | C | B | -0.7627 | |
| 158 | L | B | -0.2027 | |
| 159 | K | B | -1.3977 | |
| 160 | D | B | -1.1966 | |
| 161 | N | B | -1.6383 | |
| 162 | G | B | -1.8601 | |
| 163 | A | B | -2.0880 | |
| 164 | Y | B | 0.0000 | |
| 165 | R | B | -1.1543 | |
| 166 | C | B | 0.0000 | |
| 167 | T | B | 0.1170 | |
| 168 | G | B | 0.0000 | |
| 169 | Y | B | 0.4087 | |
| 170 | K | B | -0.6408 | |
| 171 | E | B | -1.7204 | |
| 172 | S | B | -0.7900 | |
| 173 | C | B | 0.4100 | |
| 174 | C | B | 0.5287 | |
| 175 | P | B | 0.3519 | |
| 176 | V | B | 0.5263 | |
| 177 | S | B | -0.0873 | |
| 178 | S | B | -0.4276 | |
| 179 | N | B | -0.8986 | |
| 180 | T | B | -1.1386 | |
| 181 | V | B | 0.0000 | |
| 182 | K | B | -2.2964 | |
| 183 | I | B | 0.0000 | |
| 184 | Q | B | -2.0661 | |
| 185 | V | B | 0.0000 | |
| 186 | Q | B | -1.7210 | |
| 187 | E | B | -2.2919 | |
| 188 | P | B | 0.0000 | |
| 189 | F | B | 0.0000 | |
| 190 | T | B | -1.7022 | |
| 191 | R | B | -2.2342 | |
| 192 | P | B | 0.0000 | |
| 193 | V | B | -0.7477 | |
| 194 | L | B | 0.0000 | |
| 195 | R | B | -1.8684 | |
| 196 | A | B | -1.0392 | |
| 197 | S | B | -0.7312 | |
| 198 | S | B | -0.5118 | |
| 199 | F | B | 0.1197 | |
| 200 | Q | B | -0.7225 | |
| 201 | P | B | 0.0000 | |
| 202 | I | B | 0.1208 | |
| 203 | S | B | -0.1907 | |
| 204 | G | B | -0.3695 | |
| 205 | N | B | -0.8945 | |
| 206 | P | B | -0.7560 | |
| 207 | V | B | 0.0000 | |
| 208 | T | B | -0.9466 | |
| 209 | L | B | 0.0000 | |
| 210 | T | B | -1.3652 | |
| 211 | C | B | 0.0000 | |
| 212 | E | B | -1.5002 | |
| 213 | T | B | -1.1394 | |
| 214 | Q | B | -1.3802 | |
| 215 | L | B | -0.8552 | |
| 216 | S | B | -0.7251 | |
| 217 | L | B | -0.2134 | |
| 218 | E | B | -0.5518 | |
| 219 | R | B | -1.0577 | |
| 220 | S | B | -1.0493 | |
| 221 | D | B | -1.7633 | |
| 222 | V | B | -0.6302 | |
| 223 | P | B | -0.2311 | |
| 224 | L | B | 0.1950 | |
| 225 | R | B | 0.0000 | |
| 226 | F | B | 0.0000 | |
| 227 | R | B | -0.3883 | |
| 228 | F | B | 0.0000 | |
| 229 | F | B | 0.0000 | |
| 230 | R | B | -1.2029 | |
| 231 | D | B | -2.0342 | |
| 232 | D | B | -2.4266 | |
| 233 | Q | B | -1.9322 | |
| 234 | T | B | 0.0000 | |
| 235 | L | B | 0.0000 | |
| 236 | G | B | -0.5275 | |
| 237 | L | B | 0.0000 | |
| 238 | G | B | 0.0000 | |
| 239 | W | B | -0.2402 | |
| 240 | S | B | 0.0000 | |
| 241 | L | B | -0.3813 | |
| 242 | S | B | -0.8664 | |
| 243 | P | B | -0.7286 | |
| 244 | N | B | -1.5781 | |
| 245 | F | B | -1.0139 | |
| 246 | Q | B | -1.4447 | |
| 247 | I | B | -0.5192 | |
| 248 | T | B | -0.9417 | |
| 249 | A | B | -0.4422 | |
| 250 | M | B | 0.0000 | |
| 251 | W | B | -0.3501 | |
| 252 | S | B | -0.4724 | |
| 253 | K | B | -1.3080 | |
| 254 | D | B | 0.0000 | |
| 255 | S | B | -0.4124 | |
| 256 | G | B | 0.0000 | |
| 257 | F | B | 0.2051 | |
| 258 | Y | B | 0.0000 | |
| 259 | W | B | 0.0000 | |
| 260 | C | B | 0.0000 | |
| 261 | K | B | -0.4592 | |
| 262 | A | B | 0.0000 | |
| 263 | A | B | 0.0000 | |
| 264 | T | B | 0.0000 | |
| 265 | M | B | 0.0000 | |
| 266 | P | B | -0.8613 | |
| 267 | Y | B | 0.0209 | |
| 268 | S | B | 0.3933 | |
| 269 | V | B | 0.0000 | |
| 270 | I | B | 0.6403 | |
| 271 | S | B | -0.4776 | |
| 272 | D | B | -0.9232 | |
| 273 | S | B | 0.0000 | |
| 274 | P | B | -0.9211 | |
| 275 | R | B | -1.2449 | |
| 276 | S | B | -0.1857 | |
| 277 | W | B | 0.8258 | |
| 278 | I | B | 0.0000 | |
| 279 | Q | B | -0.3420 | |
| 280 | V | B | 0.0000 | |
| 281 | Q | B | -0.0223 | |
| 282 | I | B | 0.6761 | |
| 283 | P | B | -0.0679 | |
| 284 | A | B | 0.0000 | |
| 285 | S | B | -1.0871 | |
| 286 | H | B | -1.5350 | |
| 287 | P | B | 0.0000 | |
| 288 | V | B | 0.9622 | |
| 289 | L | B | 0.5477 | |
| 290 | T | B | 0.0307 | |
| 291 | L | B | -0.7236 | |
| 292 | S | B | -1.4213 | |
| 293 | P | B | -1.6764 | |
| 294 | E | B | -2.5432 | |
| 295 | K | B | -2.3959 | |
| 296 | A | B | -1.2591 | |
| 297 | L | B | -0.1425 | |
| 298 | N | B | -0.5589 | |
| 299 | F | B | -0.2426 | |
| 300 | E | B | -1.2846 | |
| 301 | G | B | -1.0959 | |
| 302 | T | B | -1.0002 | |
| 303 | K | B | -1.7642 | |
| 304 | V | B | 0.0000 | |
| 305 | T | B | -0.7098 | |
| 306 | L | B | 0.0000 | |
| 307 | H | B | 0.1869 | |
| 308 | C | B | 0.0000 | |
| 309 | E | B | -0.5829 | |
| 310 | T | B | 0.0000 | |
| 311 | Q | B | -1.9651 | |
| 312 | E | B | -2.1095 | |
| 313 | D | B | -1.6354 | |
| 314 | S | B | -0.7394 | |
| 315 | L | B | 0.3136 | |
| 316 | R | B | -1.0191 | |
| 317 | T | B | 0.0000 | |
| 318 | L | B | 0.7653 | |
| 319 | Y | B | -0.3390 | |
| 320 | R | B | -1.0792 | |
| 321 | F | B | 0.0000 | |
| 322 | Y | B | -0.3579 | |
| 323 | H | B | -0.6303 | |
| 324 | E | B | -1.7572 | |
| 325 | G | B | -0.5242 | |
| 326 | V | B | 0.8570 | |
| 327 | P | B | -0.2014 | |
| 328 | L | B | -1.1716 | |
| 329 | R | B | -2.5493 | |
| 330 | H | B | -2.5765 | |
| 331 | K | B | -2.3603 | |
| 332 | S | B | -1.1325 | |
| 333 | V | B | 0.3577 | |
| 334 | R | B | -0.8464 | |
| 335 | C | B | -1.0539 | |
| 336 | E | B | -1.9828 | |
| 337 | R | B | -1.9891 | |
| 338 | G | B | 0.0000 | |
| 339 | A | B | 0.0000 | |
| 340 | S | B | -0.3931 | |
| 341 | I | B | 0.0000 | |
| 342 | S | B | -0.6415 | |
| 343 | F | B | -0.5893 | |
| 344 | S | B | -0.9982 | |
| 345 | L | B | 0.0000 | |
| 346 | T | B | -1.3379 | |
| 347 | T | B | -1.2181 | |
| 348 | E | B | -1.9714 | |
| 349 | N | B | -1.6153 | |
| 350 | S | B | -1.4653 | |
| 351 | G | B | -1.2959 | |
| 352 | N | B | -1.5835 | |
| 353 | Y | B | 0.0000 | |
| 354 | Y | B | -0.3183 | |
| 355 | C | B | 0.0000 | |
| 356 | T | B | 0.0000 | |
| 357 | A | B | 0.0000 | |
| 358 | D | B | -0.8752 | |
| 359 | N | B | -0.7779 | |
| 360 | G | B | -0.6902 | |
| 361 | L | B | 0.0495 | |
| 362 | G | B | -0.5681 | |
| 363 | A | B | -0.7294 | |
| 364 | K | B | -1.1967 | |
| 365 | P | B | -0.9937 | |
| 366 | S | B | -0.6807 | |
| 367 | K | B | -1.4022 | |
| 368 | A | B | -0.7548 | |
| 369 | V | B | -0.1142 | |
| 370 | S | B | -0.7517 | |
| 371 | L | B | 0.0000 | |
| 372 | S | B | -0.4716 | |
| 373 | V | B | -0.5526 | |
| 374 | T | B | -0.0711 | |
| 375 | V | B | 0.0000 | |
| 376 | P | B | -0.5123 | |
| 377 | V | B | 0.0000 | |
| 378 | S | B | -1.7181 | |
| 379 | H | B | -2.2155 | |
| 380 | P | B | 0.0000 | |
| 381 | V | B | -0.2558 | |
| 382 | L | B | 0.0000 | |
| 383 | N | B | -0.5355 | |
| 384 | L | B | -0.1378 | |
| 385 | S | B | -0.9899 | |
| 386 | S | B | -1.3364 | |
| 387 | P | B | -1.6057 | |
| 388 | E | B | -2.3245 | |
| 389 | D | B | -2.0362 | |
| 390 | L | B | -0.2755 | |
| 391 | I | B | -0.1513 | |
| 392 | F | B | -0.0587 | |
| 393 | E | B | -0.7753 | |
| 394 | G | B | -0.8940 | |
| 395 | A | B | 0.0000 | |
| 396 | K | B | -1.9895 | |
| 397 | V | B | 0.0000 | |
| 398 | T | B | -0.5046 | |
| 399 | L | B | 0.0000 | |
| 400 | H | B | -0.3001 | |
| 401 | C | B | 0.0000 | |
| 402 | E | B | -0.8746 | |
| 403 | A | B | 0.0000 | |
| 404 | Q | B | -2.1214 | |
| 405 | R | B | -2.2819 | |
| 406 | G | B | -1.0729 | |
| 407 | S | B | -0.3323 | |
| 408 | L | B | 0.0529 | |
| 409 | P | B | -0.2728 | |
| 410 | I | B | 0.0000 | |
| 411 | L | B | -0.4444 | |
| 412 | Y | B | 0.0000 | |
| 413 | Q | B | -1.6366 | |
| 414 | F | B | 0.0000 | |
| 415 | H | B | -1.1231 | |
| 416 | H | B | -1.4629 | |
| 417 | E | B | -2.3997 | |
| 418 | G | B | -1.3932 | |
| 419 | A | B | -0.6283 | |
| 420 | A | B | -0.7672 | |
| 421 | L | B | -0.7827 | |
| 422 | E | B | -2.6913 | |
| 423 | R | B | -3.0999 | |
| 424 | R | B | -2.4551 | |
| 425 | S | B | -1.2568 | |
| 426 | A | B | 0.0000 | |
| 427 | N | B | -1.1921 | |
| 428 | S | B | -0.7549 | |
| 429 | A | B | -0.8453 | |
| 430 | G | B | -0.8343 | |
| 431 | G | B | -0.6971 | |
| 432 | V | B | -0.5043 | |
| 433 | A | B | -0.6232 | |
| 434 | I | B | -0.4485 | |
| 435 | S | B | -0.3184 | |
| 436 | F | B | -0.3408 | |
| 437 | S | B | -0.9314 | |
| 438 | L | B | 0.0000 | |
| 439 | T | B | -1.0659 | |
| 440 | A | B | -1.2374 | |
| 441 | E | B | -2.0654 | |
| 442 | H | B | -1.5940 | |
| 443 | S | B | -1.3374 | |
| 444 | G | B | -1.3783 | |
| 445 | N | B | -1.6586 | |
| 446 | Y | B | 0.0000 | |
| 447 | Y | B | -1.0948 | |
| 448 | C | B | 0.0000 | |
| 449 | T | B | -1.3890 | |
| 450 | A | B | 0.0000 | |
| 451 | D | B | -0.7052 | |
| 452 | N | B | -0.1583 | |
| 453 | G | B | -0.1403 | |
| 454 | F | B | 0.4008 | |
| 455 | G | B | -0.4031 | |
| 456 | P | B | -1.0606 | |
| 457 | Q | B | -1.6865 | |
| 458 | R | B | -2.5178 | |
| 459 | S | B | 0.0000 | |
| 460 | K | B | -2.0350 | |
| 461 | A | B | -1.2355 | |
| 462 | V | B | -0.2740 | |
| 463 | S | B | -0.7206 | |
| 464 | L | B | 0.0000 | |
| 465 | S | B | -0.5210 | |
| 466 | V | B | 0.0000 | |
| 467 | T | B | 0.1465 | |
| 468 | V | B | 0.0000 | |
| 469 | P | B | -0.5641 | |
| 470 | V | B | 0.0000 | |
| 471 | S | B | -1.6455 | |
| 472 | H | B | -2.3390 | |
| 473 | P | B | 0.0000 | |
| 474 | V | B | -0.8249 | |
| 475 | L | B | 0.0000 | |
| 476 | T | B | 0.1136 | |
| 477 | L | B | 0.3787 | |
| 478 | S | B | -0.2611 | |
| 479 | S | B | -0.4439 | |
| 480 | A | B | -0.7800 | |
| 481 | E | B | -1.4899 | |
| 482 | A | B | -0.3979 | |
| 483 | L | B | 0.5566 | |
| 484 | T | B | 0.4211 | |
| 485 | F | B | 0.0569 | |
| 486 | E | B | -1.0243 | |
| 487 | G | B | -0.9673 | |
| 488 | A | B | 0.0000 | |
| 489 | T | B | -0.6020 | |
| 490 | V | B | 0.0000 | |
| 491 | T | B | -0.0005 | |
| 492 | L | B | 0.0000 | |
| 493 | H | B | -0.6511 | |
| 494 | C | B | 0.0000 | |
| 495 | E | B | -2.1475 | |
| 496 | V | B | 0.0000 | |
| 497 | Q | B | -2.2047 | |
| 498 | R | B | -1.9227 | |
| 499 | G | B | -1.2314 | |
| 500 | S | B | -0.7930 | |
| 501 | P | B | -1.2410 | |
| 502 | Q | B | -1.5187 | |
| 503 | I | B | 0.0000 | |
| 504 | L | B | -0.2631 | |
| 505 | Y | B | 0.0000 | |
| 506 | Q | B | -0.2445 | |
| 507 | F | B | 0.0000 | |
| 508 | Y | B | -0.4778 | |
| 509 | H | B | 0.0000 | |
| 510 | E | B | -2.4761 | |
| 511 | D | B | -2.2775 | |
| 512 | M | B | -0.4442 | |
| 513 | P | B | -0.2000 | |
| 514 | L | B | 0.3411 | |
| 515 | W | B | 0.6538 | |
| 516 | S | B | 0.2032 | |
| 517 | S | B | 0.0641 | |
| 518 | S | B | -0.4534 | |
| 519 | T | B | -0.6888 | |
| 520 | P | B | -0.7766 | |
| 521 | S | B | -0.8057 | |
| 522 | V | B | -0.9699 | |
| 523 | G | B | -1.6239 | |
| 524 | R | B | -2.4097 | |
| 525 | V | B | 0.0000 | |
| 526 | S | B | -0.5974 | |
| 527 | F | B | 0.2400 | |
| 528 | S | B | -0.0455 | |
| 529 | F | B | -0.0159 | |
| 530 | S | B | -0.4411 | |
| 531 | L | B | 0.0000 | |
| 532 | T | B | -1.4536 | |
| 533 | E | B | -2.0067 | |
| 534 | G | B | -1.3603 | |
| 535 | H | B | -1.1161 | |
| 536 | S | B | -0.5695 | |
| 537 | G | B | -0.5795 | |
| 538 | N | B | -1.0840 | |
| 539 | Y | B | 0.0000 | |
| 540 | Y | B | 0.0000 | |
| 541 | C | B | 0.0000 | |
| 542 | T | B | -1.4945 | |
| 543 | A | B | 0.0000 | |
| 544 | D | B | -1.2203 | |
| 545 | N | B | -0.8449 | |
| 546 | G | B | -0.4951 | |
| 547 | F | B | 0.2900 | |
| 548 | G | B | -0.5436 | |
| 549 | P | B | -1.3022 | |
| 550 | Q | B | -1.9977 | |
| 551 | R | B | -2.6877 | |
| 552 | S | B | 0.0000 | |
| 553 | E | B | -1.4895 | |
| 554 | V | B | -0.0699 | |
| 555 | V | B | 0.3764 | |
| 556 | S | B | 0.4888 | |
| 557 | L | B | 0.0000 | |
| 558 | F | B | 1.5359 | |
| 559 | V | B | 0.0000 | |
| 560 | T | B | 0.2032 | |
| 561 | V | B | -0.5148 | |
| 562 | P | B | -0.5498 | |
| 563 | V | B | 0.0000 | |
| 564 | S | B | -1.6669 | |
| 565 | R | B | -2.6345 | |
| 566 | P | B | 0.0000 | |
| 567 | I | B | 0.4649 | |
| 568 | L | B | 0.0000 | |
| 569 | T | B | -0.2756 | |
| 570 | L | B | -0.8144 | |
| 571 | R | B | -2.0628 | |
| 572 | V | B | -0.9648 | |
| 573 | P | B | -1.1371 | |
| 574 | R | B | -1.8202 | |
| 575 | A | B | -1.0908 | |
| 576 | Q | B | -0.7244 | |
| 577 | A | B | 0.0000 | |
| 578 | V | B | 0.0000 | |
| 579 | V | B | 0.4469 | |
| 580 | G | B | 0.1312 | |
| 581 | D | B | 0.0000 | |
| 582 | L | B | 0.1037 | |
| 583 | L | B | 0.0000 | |
| 584 | E | B | -1.5110 | |
| 585 | L | B | 0.0000 | |
| 586 | H | B | -1.0277 | |
| 587 | C | B | 0.0000 | |
| 588 | E | B | -1.7256 | |
| 589 | A | B | 0.0000 | |
| 590 | P | B | -1.5991 | |
| 591 | R | B | -2.4387 | |
| 592 | G | B | -1.3210 | |
| 593 | S | B | -0.8939 | |
| 594 | P | B | -0.8938 | |
| 595 | P | B | -0.7203 | |
| 596 | I | B | 0.0000 | |
| 597 | L | B | 0.0548 | |
| 598 | Y | B | 0.0000 | |
| 599 | W | B | 0.2493 | |
| 600 | F | B | 0.0000 | |
| 601 | Y | B | -0.1172 | |
| 602 | H | B | -0.8552 | |
| 603 | E | B | -2.3267 | |
| 604 | D | B | -1.8005 | |
| 605 | V | B | 0.4589 | |
| 606 | T | B | 0.3901 | |
| 607 | L | B | 0.3584 | |
| 608 | G | B | 0.2567 | |
| 609 | S | B | 0.1261 | |
| 610 | S | B | -0.2158 | |
| 611 | S | B | -0.5540 | |
| 612 | A | B | 0.0000 | |
| 613 | P | B | -0.6123 | |
| 614 | S | B | -0.8350 | |
| 615 | G | B | -1.4167 | |
| 616 | G | B | -1.9994 | |
| 617 | E | B | -2.2927 | |
| 618 | A | B | 0.0000 | |
| 619 | S | B | -1.0009 | |
| 620 | F | B | -0.4554 | |
| 621 | N | B | -1.3306 | |
| 622 | L | B | -0.3659 | |
| 623 | S | B | -0.1503 | |
| 624 | L | B | 0.0000 | |
| 625 | T | B | -0.3447 | |
| 626 | A | B | -0.6332 | |
| 627 | E | B | -1.8730 | |
| 628 | H | B | -1.2521 | |
| 629 | S | B | -1.0259 | |
| 630 | G | B | -1.1527 | |
| 631 | N | B | -1.5210 | |
| 632 | Y | B | 0.0000 | |
| 633 | S | B | -0.8903 | |
| 634 | C | B | 0.0000 | |
| 635 | E | B | -0.9860 | |
| 636 | A | B | 0.0000 | |
| 637 | N | B | -0.6624 | |
| 638 | N | B | -0.3835 | |
| 639 | G | B | -0.2505 | |
| 640 | L | B | 0.5770 | |
| 641 | V | B | 0.6409 | |
| 642 | A | B | -0.4891 | |
| 643 | Q | B | -1.7577 | |
| 644 | H | B | -1.9666 | |
| 645 | S | B | 0.0000 | |
| 646 | D | B | -1.8893 | |
| 647 | T | B | -0.9516 | |
| 648 | I | B | -0.0839 | |
| 649 | S | B | -0.3609 | |
| 650 | L | B | -0.0936 | |
| 651 | S | B | -0.4359 | |
| 652 | V | B | 0.0000 | |
| 653 | I | B | 0.5610 | |
| 654 | V | B | 0.3183 | |
| 655 | P | B | -0.7074 | |
| 656 | V | B | 0.0000 | |
| 657 | S | B | -1.3529 | |
| 658 | R | B | -1.8670 | |
| 659 | P | B | 0.0000 | |
| 660 | I | B | 0.1513 | |
| 661 | L | B | 0.0000 | |
| 662 | T | B | -0.4643 | |
| 663 | F | B | -0.9328 | |
| 664 | R | B | -2.3126 | |
| 665 | A | B | -1.4512 | |
| 666 | P | B | -1.3855 | |
| 667 | R | B | -2.0400 | |
| 668 | A | B | -1.2571 | |
| 669 | Q | B | -1.2864 | |
| 670 | A | B | 0.0000 | |
| 671 | V | B | 0.0000 | |
| 672 | V | B | 0.0301 | |
| 673 | G | B | -0.0619 | |
| 674 | D | B | 0.0000 | |
| 675 | L | B | -0.0534 | |
| 676 | L | B | 0.0000 | |
| 677 | E | B | -1.7277 | |
| 678 | L | B | 0.0000 | |
| 679 | H | B | -0.9304 | |
| 680 | C | B | 0.0000 | |
| 681 | E | B | -0.7007 | |
| 682 | A | B | 0.0000 | |
| 683 | L | B | 0.2647 | |
| 684 | R | B | -1.4822 | |
| 685 | G | B | -0.8525 | |
| 686 | S | B | -0.5488 | |
| 687 | S | B | -0.8287 | |
| 688 | P | B | -0.7686 | |
| 689 | I | B | 0.0000 | |
| 690 | L | B | -0.3728 | |
| 691 | Y | B | 0.0000 | |
| 692 | W | B | -0.5228 | |
| 693 | F | B | 0.0000 | |
| 694 | Y | B | -0.1375 | |
| 695 | H | B | -0.3783 | |
| 696 | E | B | -1.5474 | |
| 697 | D | B | -1.5626 | |
| 698 | V | B | 0.4769 | |
| 699 | T | B | 0.0702 | |
| 700 | L | B | 0.0106 | |
| 701 | G | B | -0.3994 | |
| 702 | K | B | -1.2825 | |
| 703 | I | B | -0.2254 | |
| 704 | S | B | -0.4204 | |
| 705 | A | B | 0.0000 | |
| 706 | P | B | -0.5652 | |
| 707 | S | B | -0.6393 | |
| 708 | G | B | -0.8123 | |
| 709 | G | B | -0.7502 | |
| 710 | G | B | -0.3463 | |
| 711 | A | B | 0.0000 | |
| 712 | S | B | -0.9318 | |
| 713 | F | B | -0.6521 | |
| 714 | N | B | -1.4189 | |
| 715 | L | B | -0.4206 | |
| 716 | S | B | -0.2042 | |
| 717 | L | B | 0.0000 | |
| 718 | T | B | -0.5763 | |
| 719 | T | B | -1.1485 | |
| 720 | E | B | -2.0974 | |
| 721 | H | B | -1.4574 | |
| 722 | S | B | -1.4378 | |
| 723 | G | B | -0.7876 | |
| 724 | I | B | -0.0568 | |
| 725 | Y | B | 0.0000 | |
| 726 | S | B | 0.0000 | |
| 727 | C | B | 0.0000 | |
| 728 | E | B | -1.3815 | |
| 729 | A | B | 0.0000 | |
| 730 | D | B | -1.3915 | |
| 731 | N | B | -0.9074 | |
| 732 | G | B | -0.9170 | |
| 733 | L | B | -0.8447 | |
| 734 | E | B | -2.0985 | |
| 735 | A | B | -1.7122 | |
| 736 | Q | B | -2.0890 | |
| 737 | R | B | -2.0571 | |
| 738 | S | B | 0.0000 | |
| 739 | E | B | -0.6016 | |
| 740 | M | B | 0.7306 | |
| 741 | V | B | 0.9721 | |
| 742 | T | B | 0.0614 | |
| 743 | L | B | 0.0000 | |
| 744 | K | B | -2.0040 | |
| 745 | V | B | 0.0000 | |
| 746 | A | B | -0.3239 | |
| 747 | V | B | -0.0482 | |
| 748 | P | B | -0.5244 | |
| 749 | V | B | 0.0000 | |
| 750 | S | B | -1.2772 | |
| 751 | R | B | -2.1588 | |
| 752 | P | B | 0.0000 | |
| 753 | V | B | -0.1490 | |
| 754 | L | B | 0.0000 | |
| 755 | T | B | -0.3373 | |
| 756 | L | B | -0.7701 | |
| 757 | R | B | -1.9142 | |
| 758 | A | B | -1.0289 | |
| 759 | P | B | -0.8312 | |
| 760 | G | B | -1.1715 | |
| 761 | T | B | -0.9993 | |
| 762 | H | B | -0.9364 | |
| 763 | A | B | 0.0000 | |
| 764 | A | B | 0.6578 | |
| 765 | V | B | 1.3366 | |
| 766 | G | B | 0.5431 | |
| 767 | D | B | 0.4223 | |
| 768 | L | B | 0.7181 | |
| 769 | L | B | 0.0000 | |
| 770 | E | B | -1.1329 | |
| 771 | L | B | 0.0000 | |
| 772 | H | B | -0.7660 | |
| 773 | C | B | 0.0000 | |
| 774 | E | B | -0.6921 | |
| 775 | A | B | 0.0000 | |
| 776 | L | B | 0.2947 | |
| 777 | R | B | -1.4113 | |
| 778 | G | B | -0.6354 | |
| 779 | S | B | -0.2336 | |
| 780 | P | B | 0.1731 | |
| 781 | L | B | 1.0949 | |
| 782 | I | B | 0.0000 | |
| 783 | L | B | -0.4135 | |
| 784 | Y | B | 0.0000 | |
| 785 | R | B | -1.5559 | |
| 786 | F | B | 0.0000 | |
| 787 | F | B | -0.5361 | |
| 788 | H | B | -0.9585 | |
| 789 | E | B | -2.3184 | |
| 790 | D | B | -1.8100 | |
| 791 | V | B | 0.4579 | |
| 792 | T | B | 0.0832 | |
| 793 | L | B | 0.1137 | |
| 794 | G | B | -0.5392 | |
| 795 | N | B | -1.4866 | |
| 796 | R | B | -1.7856 | |
| 797 | S | B | -0.7922 | |
| 798 | S | B | -0.3688 | |
| 799 | P | B | 0.0028 | |
| 800 | S | B | -0.4952 | |
| 801 | G | B | -0.6965 | |
| 802 | G | B | -0.5672 | |
| 803 | A | B | 0.0000 | |
| 804 | S | B | -0.8982 | |
| 805 | L | B | -0.9301 | |
| 806 | N | B | -1.1236 | |
| 807 | L | B | -0.1588 | |
| 808 | S | B | 0.2026 | |
| 809 | L | B | 0.0000 | |
| 810 | T | B | -0.0531 | |
| 811 | A | B | -0.1936 | |
| 812 | E | B | -1.6713 | |
| 813 | H | B | -0.8897 | |
| 814 | S | B | -0.3698 | |
| 815 | G | B | -0.7488 | |
| 816 | N | B | -1.2079 | |
| 817 | Y | B | 0.0000 | |
| 818 | S | B | 0.0000 | |
| 819 | C | B | 0.0000 | |
| 820 | E | B | -1.8293 | |
| 821 | A | B | 0.0000 | |
| 822 | D | B | -0.9684 | |
| 823 | N | B | -0.1195 | |
| 824 | G | B | -0.2682 | |
| 825 | L | B | -0.0453 | |
| 826 | G | B | -0.4815 | |
| 827 | A | B | -1.0995 | |
| 828 | Q | B | -1.8740 | |
| 829 | R | B | -2.3873 | |
| 830 | S | B | 0.0000 | |
| 831 | E | B | -1.3540 | |
| 832 | T | B | -0.7782 | |
| 833 | V | B | 0.1131 | |
| 834 | T | B | 0.0641 | |
| 835 | L | B | 0.6168 | |
| 836 | Y | B | 1.1806 | |
| 837 | I | B | 0.8220 | |
| 838 | T | B | 0.5961 | |
| 839 | G | B | 0.5810 | |
| 840 | L | B | 1.3271 | |
| 841 | T | B | 0.3457 | |
| 842 | A | B | -0.7508 | |
| 843 | N | B | -2.1953 | |
| 844 | R | B | -2.6741 | |
| 845 | S | B | -1.8375 | |
| 846 | G | B | -0.6836 | |
| 847 | P | B | 0.4772 | |
| 848 | F | B | 1.6656 | |
| 849 | A | B | 1.0162 | |
| 850 | T | B | 0.5642 | |
| 851 | G | B | 0.6560 | |
| 852 | V | B | 1.3870 | |
| 853 | A | B | 0.5226 | |
| 854 | G | B | 0.2383 | |
| 855 | G | B | 0.6007 | |
| 856 | L | B | 2.2368 | |
| 857 | L | B | 2.6231 | |
| 858 | S | B | 2.0292 | |
| 859 | I | B | 2.4811 | |
| 860 | A | B | 1.1463 | |
| 861 | G | B | 0.9007 | |
| 862 | L | B | 1.5246 | |
| 863 | A | B | 0.6533 | |
| 864 | A | B | 0.3605 | |
| 865 | G | B | 0.3363 | |
| 866 | A | B | 1.1398 | |
| 867 | L | B | 2.8400 | |
| 868 | L | B | 3.6333 | |
| 869 | L | B | 3.6878 | |
| 870 | Y | B | 3.5516 | |
| 871 | C | B | 2.9108 | |
| 872 | W | B | 2.8090 | |
| 873 | L | B | 1.9602 | |
| 874 | S | B | -0.2504 | |
| 875 | R | B | -2.4546 | |
| 876 | K | B | -2.9684 | |
| 877 | A | B | -2.0997 | |
| 878 | G | B | -2.4369 | |
| 879 | R | B | -3.2318 | |
| 880 | K | B | -2.9400 | |
| 881 | P | B | -1.7882 | |
| 882 | A | B | -1.2876 | |
| 883 | S | B | -1.3781 | |
| 884 | D | B | -2.2299 | |
| 885 | P | B | -1.6965 | |
| 886 | A | B | -1.5094 | |
| 887 | R | B | -2.2922 | |
| 888 | S | B | -1.6468 | |
| 889 | P | B | -1.4027 | |
| 890 | S | B | -1.7312 | |
| 891 | D | B | -2.6300 | |
| 892 | S | B | -2.2620 | |
| 893 | D | B | -3.0821 | |
| 894 | S | B | -2.4196 | |
| 895 | Q | B | -2.7943 | |
| 896 | E | B | -2.6359 | |
| 897 | P | B | -1.2487 | |
| 898 | T | B | -0.7224 | |
| 899 | Y | B | 0.3951 | |
| 900 | H | B | -0.6706 | |
| 901 | N | B | -0.6358 | |
| 902 | V | B | 1.1353 | |
| 903 | P | B | 0.1312 | |
| 904 | A | B | 0.0362 | |
| 905 | W | B | 0.1834 | |
| 906 | E | B | -1.8860 | |
| 907 | E | B | -2.0092 | |
| 908 | L | B | -0.0503 | |
| 909 | Q | B | -0.6748 | |
| 910 | P | B | 0.6386 | |
| 911 | V | B | 2.0253 | |
| 912 | Y | B | 1.5491 | |
| 913 | T | B | 0.3206 | |
| 914 | N | B | -1.0725 | |
| 915 | A | B | -1.3385 | |
| 916 | N | B | -2.3708 | |
| 917 | P | B | -2.3694 | |
| 918 | R | B | -3.2367 | |
| 919 | G | B | -2.5835 | |
| 920 | E | B | -2.5368 | |
| 921 | N | B | -0.9023 | |
| 922 | V | B | 1.8011 | |
| 923 | V | B | 2.3316 | |
| 924 | Y | B | 2.1301 | |
| 925 | S | B | 0.6041 | |
| 926 | E | B | -0.6350 | |
| 927 | V | B | 1.0032 | |
| 928 | R | B | -0.0877 | |
| 929 | I | B | 1.7580 | |
| 930 | I | B | 1.2860 | |
| 931 | Q | B | -1.5175 | |
| 932 | E | B | -3.1192 | |
| 933 | K | B | -4.1506 | |
| 934 | K | B | -4.3645 | |
| 935 | K | B | -3.5238 | |
| 936 | H | B | -2.0696 | |
| 937 | A | B | -0.3146 | |
| 938 | V | B | 1.0493 | |
| 939 | A | B | 0.2252 | |
| 940 | S | B | -0.8091 | |
| 941 | D | B | -2.3648 | |
| 942 | P | B | -2.1347 | |
| 943 | R | B | -2.7644 | |
| 944 | H | B | -1.9903 | |
| 945 | L | B | -0.7562 | |
| 946 | R | B | -2.5734 | |
| 947 | N | B | -2.9426 | |
| 948 | K | B | -2.9221 | |
| 949 | G | B | -1.7397 | |
| 950 | S | B | -0.4694 | |
| 951 | P | B | 1.0057 | |
| 952 | I | B | 3.0633 | |
| 953 | I | B | 3.2685 | |
| 954 | Y | B | 2.4076 | |
| 955 | S | B | 0.5677 | |
| 956 | E | B | -0.7550 | |
| 957 | V | B | 0.6488 | |
| 958 | K | B | -0.5120 | |
| 959 | V | B | 1.1694 | |
| 960 | A | B | 0.5203 | |
| 961 | S | B | 0.1688 | |
| 962 | T | B | 0.3363 | |
| 963 | P | B | 0.4135 | |
| 964 | V | B | 1.3665 | |
| 965 | S | B | 0.4550 | |
| 966 | G | B | 0.3047 | |
| 967 | S | B | 0.9274 | |
| 968 | L | B | 2.6061 | |
| 969 | F | B | 3.3413 | |
| 970 | L | B | 2.7925 | |
| 971 | A | B | 1.2430 | |
| 972 | S | B | 0.3530 | |
| 973 | S | B | -0.1628 | |
| 974 | A | B | -0.4059 | |
| 975 | P | B | -1.1463 | |
| 976 | H | B | -2.0933 | |
| 977 | R | B | -2.4306 |
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 | -0.4957 | 7.0539 | View | CSV | PDB |
| 4.5 | -0.5619 | 7.0539 | View | CSV | PDB |
| 5.0 | -0.6451 | 7.0539 | View | CSV | PDB |
| 5.5 | -0.7287 | 7.0539 | View | CSV | PDB |
| 6.0 | -0.7948 | 7.0539 | View | CSV | PDB |
| 6.5 | -0.8302 | 7.0539 | View | CSV | PDB |
| 7.0 | -0.8343 | 7.0539 | View | CSV | PDB |
| 7.5 | -0.8178 | 7.0539 | View | CSV | PDB |
| 8.0 | -0.791 | 7.0539 | View | CSV | PDB |
| 8.5 | -0.7581 | 7.0539 | View | CSV | PDB |
| 9.0 | -0.7195 | 7.0539 | 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