| Chain sequence(s) |
A: DGTVVFELSPEQKALVAELEALLAQLSPEQREALLRELGEKVDEIAEKLRAGEITPEEAQAKYAELLEETLARARALVAA
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. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:09:10)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/13637a6ec362312/tmp/folded.pdb (00:09:10)
[INFO] Main: Simulation completed successfully. (00:13:54)
|
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 | D | A | -2.0581 | |
| 2 | G | A | -1.4173 | |
| 3 | T | A | -1.0475 | |
| 4 | V | A | 0.0000 | |
| 5 | V | A | -0.0445 | |
| 6 | F | A | 0.0000 | |
| 7 | E | A | -0.5975 | |
| 8 | L | A | -0.7294 | |
| 9 | S | A | -1.0794 | |
| 10 | P | A | -1.4109 | |
| 11 | E | A | -2.0515 | |
| 12 | Q | A | -1.5273 | |
| 13 | K | A | -1.1739 | |
| 14 | A | A | -1.1130 | |
| 15 | L | A | -1.2281 | |
| 16 | V | A | -1.0324 | |
| 17 | A | A | -1.0530 | |
| 18 | E | A | -1.3368 | |
| 19 | L | A | 0.0000 | |
| 20 | E | A | -2.0439 | |
| 21 | A | A | -1.1998 | |
| 22 | L | A | -1.2571 | |
| 23 | L | A | 0.0000 | |
| 24 | A | A | -0.9904 | |
| 25 | Q | A | -1.4695 | |
| 26 | L | A | 0.0000 | |
| 27 | S | A | -1.3647 | |
| 28 | P | A | -1.8426 | |
| 29 | E | A | -2.6337 | |
| 30 | Q | A | -2.0948 | |
| 31 | R | A | -2.1468 | |
| 32 | E | A | -2.1079 | |
| 33 | A | A | -1.6472 | |
| 34 | L | A | 0.0000 | |
| 35 | L | A | 0.0000 | |
| 36 | R | A | -2.0175 | |
| 37 | E | A | -2.3352 | |
| 38 | L | A | 0.0000 | |
| 39 | G | A | 0.0000 | |
| 40 | E | A | -3.0038 | |
| 41 | K | A | -2.9627 | |
| 42 | V | A | 0.0000 | |
| 43 | D | A | 0.0000 | |
| 44 | E | A | -3.1146 | |
| 45 | I | A | 0.0000 | |
| 46 | A | A | 0.0000 | |
| 47 | E | A | -2.5186 | |
| 48 | K | A | -2.3896 | |
| 49 | L | A | -1.9693 | |
| 50 | R | A | -1.7090 | |
| 51 | A | A | -1.4232 | |
| 52 | G | A | -1.6979 | |
| 53 | E | A | -2.4656 | |
| 54 | I | A | -1.8685 | |
| 55 | T | A | -1.6758 | |
| 56 | P | A | -1.9166 | |
| 57 | E | A | -2.7000 | |
| 58 | E | A | -2.6343 | |
| 59 | A | A | 0.0000 | |
| 60 | Q | A | -1.8171 | |
| 61 | A | A | -1.9360 | |
| 62 | K | A | -2.4331 | |
| 63 | Y | A | 0.0000 | |
| 64 | A | A | -2.0133 | |
| 65 | E | A | -3.1671 | |
| 66 | L | A | -2.3862 | |
| 67 | L | A | 0.0000 | |
| 68 | E | A | -3.4995 | |
| 69 | E | A | -3.6027 | |
| 70 | T | A | 0.0000 | |
| 71 | L | A | 0.0000 | |
| 72 | A | A | -2.1323 | |
| 73 | R | A | -2.3247 | |
| 74 | A | A | 0.0000 | |
| 75 | R | A | -1.7514 | |
| 76 | A | A | -0.6541 | |
| 77 | L | A | -0.3077 | |
| 78 | V | A | -0.1111 | |
| 79 | A | A | 0.0343 | |
| 80 | A | A | 0.2422 | |
| 1 | M | B | 2.3895 | |
| 2 | L | B | 3.3999 | |
| 3 | L | B | 3.9942 | |
| 4 | W | B | 4.2351 | |
| 5 | V | B | 4.7152 | |
| 6 | I | B | 4.9516 | |
| 7 | L | B | 4.8024 | |
| 8 | L | B | 4.5448 | |
| 9 | V | B | 4.0697 | |
| 10 | L | B | 3.3866 | |
| 11 | A | B | 1.9857 | |
| 12 | P | B | 1.2261 | |
| 13 | V | B | 1.4944 | |
| 14 | S | B | 0.3226 | |
| 15 | G | B | -0.0023 | |
| 16 | Q | B | -0.5521 | |
| 17 | F | B | 0.6054 | |
| 18 | A | B | -0.3478 | |
| 19 | R | B | -1.5834 | |
| 20 | T | B | -1.0165 | |
| 21 | P | B | -1.0369 | |
| 22 | R | B | -1.1535 | |
| 23 | P | B | 0.0000 | |
| 24 | I | B | 0.0303 | |
| 25 | I | B | 0.0000 | |
| 26 | F | B | 0.4712 | |
| 27 | L | B | -0.2074 | |
| 28 | Q | B | -1.4996 | |
| 29 | P | B | -1.0368 | |
| 30 | P | B | -0.3030 | |
| 31 | W | B | -0.1566 | |
| 32 | T | B | -0.4243 | |
| 33 | T | B | 0.0000 | |
| 34 | V | B | 0.0000 | |
| 35 | F | B | 0.0000 | |
| 36 | Q | B | -2.5080 | |
| 37 | G | B | -2.2113 | |
| 38 | E | B | -2.4171 | |
| 39 | R | B | -3.4515 | |
| 40 | V | B | 0.0000 | |
| 41 | T | B | -1.3174 | |
| 42 | L | B | 0.0000 | |
| 43 | T | B | -0.0312 | |
| 44 | C | B | 0.0000 | |
| 45 | K | B | 0.0041 | |
| 46 | G | B | 0.0034 | |
| 47 | F | B | 0.8255 | |
| 48 | R | B | -0.3139 | |
| 49 | F | B | 1.4732 | |
| 50 | Y | B | 1.7143 | |
| 51 | S | B | 0.3583 | |
| 52 | P | B | -0.4527 | |
| 53 | Q | B | -1.3412 | |
| 54 | K | B | -3.0006 | |
| 55 | T | B | 0.0000 | |
| 56 | K | B | -1.8491 | |
| 57 | W | B | 0.0000 | |
| 58 | Y | B | -0.6547 | |
| 59 | H | B | 0.0000 | |
| 60 | R | B | -2.3665 | |
| 61 | Y | B | -0.9734 | |
| 62 | L | B | 0.3703 | |
| 63 | G | B | -1.1792 | |
| 64 | K | B | -2.4210 | |
| 65 | E | B | -2.5444 | |
| 66 | I | B | -0.6107 | |
| 67 | L | B | -0.0398 | |
| 68 | R | B | -0.9532 | |
| 69 | E | B | -2.4335 | |
| 70 | T | B | -1.9013 | |
| 71 | P | B | -1.7937 | |
| 72 | D | B | -1.7126 | |
| 73 | N | B | -0.9886 | |
| 74 | I | B | -0.2895 | |
| 75 | L | B | 0.0000 | |
| 76 | E | B | -2.1449 | |
| 77 | V | B | 0.0000 | |
| 78 | Q | B | -3.2839 | |
| 79 | E | B | -2.8560 | |
| 80 | S | B | -1.6310 | |
| 81 | G | B | -1.6122 | |
| 82 | E | B | -1.5333 | |
| 83 | Y | B | 0.0000 | |
| 84 | R | B | -0.7329 | |
| 85 | C | B | 0.0000 | |
| 86 | Q | B | -1.5130 | |
| 87 | A | B | -1.5423 | |
| 88 | Q | B | -2.0076 | |
| 89 | G | B | -1.2922 | |
| 90 | S | B | 0.0000 | |
| 91 | P | B | -0.9351 | |
| 92 | L | B | -0.5206 | |
| 93 | S | B | 0.0000 | |
| 94 | S | B | -0.5724 | |
| 95 | P | B | -0.7087 | |
| 96 | V | B | 0.0000 | |
| 97 | H | B | -1.4659 | |
| 98 | L | B | 0.0000 | |
| 99 | D | B | -1.8317 | |
| 100 | F | B | 0.0000 | |
| 101 | S | B | -1.1414 | |
| 102 | S | B | -0.8950 | |
| 103 | A | B | -0.4848 | |
| 104 | S | B | -0.9256 | |
| 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 | 0.1507 | |
| 111 | L | B | 0.1741 | |
| 112 | S | B | -0.3816 | |
| 113 | V | B | 0.0000 | |
| 114 | F | B | 0.0000 | |
| 115 | E | B | -1.0724 | |
| 116 | G | B | -0.7115 | |
| 117 | D | B | -0.8769 | |
| 118 | S | B | -0.6413 | |
| 119 | V | B | 0.0000 | |
| 120 | V | B | -0.1071 | |
| 121 | L | B | 0.0000 | |
| 122 | R | B | -1.0332 | |
| 123 | C | B | 0.0000 | |
| 124 | R | B | -1.0577 | |
| 125 | A | B | -1.0373 | |
| 126 | K | B | -1.7274 | |
| 127 | A | B | -1.3812 | |
| 128 | E | B | -2.4174 | |
| 129 | V | B | 0.0000 | |
| 130 | T | B | -1.2480 | |
| 131 | L | B | -1.5295 | |
| 132 | N | B | -1.3117 | |
| 133 | N | B | 0.0000 | |
| 134 | T | B | 0.0000 | |
| 135 | I | B | 0.0000 | |
| 136 | Y | B | -0.3052 | |
| 137 | K | B | -1.6913 | |
| 138 | N | B | -2.6760 | |
| 139 | D | B | -2.7183 | |
| 140 | N | B | -1.7344 | |
| 141 | V | B | 0.8323 | |
| 142 | L | B | 0.9735 | |
| 143 | A | B | 1.4279 | |
| 144 | F | B | 1.4213 | |
| 145 | L | B | 0.0000 | |
| 146 | N | B | -2.2398 | |
| 147 | K | B | -3.0542 | |
| 148 | R | B | -2.9969 | |
| 149 | T | B | -1.9503 | |
| 150 | D | B | -1.2445 | |
| 151 | F | B | -0.2060 | |
| 152 | H | B | -0.6041 | |
| 153 | I | B | 0.0000 | |
| 154 | P | B | -0.6564 | |
| 155 | H | B | -0.9106 | |
| 156 | A | B | 0.0000 | |
| 157 | C | B | 0.0000 | |
| 158 | L | B | -0.0932 | |
| 159 | K | B | -1.3840 | |
| 160 | D | B | -1.1772 | |
| 161 | N | B | -1.6729 | |
| 162 | G | B | -1.8315 | |
| 163 | A | B | -2.0834 | |
| 164 | Y | B | 0.0000 | |
| 165 | R | B | -1.2433 | |
| 166 | C | B | 0.0000 | |
| 167 | T | B | 0.1189 | |
| 168 | G | B | 0.0000 | |
| 169 | Y | B | 0.0310 | |
| 170 | K | B | -1.1661 | |
| 171 | E | B | -1.9575 | |
| 172 | S | B | -0.9789 | |
| 173 | C | B | 0.1112 | |
| 174 | C | B | 0.3685 | |
| 175 | P | B | 0.1454 | |
| 176 | V | B | 0.3819 | |
| 177 | S | B | -0.1751 | |
| 178 | S | B | -0.4190 | |
| 179 | N | B | -0.6181 | |
| 180 | T | B | -1.1583 | |
| 181 | V | B | 0.0000 | |
| 182 | K | B | -2.2832 | |
| 183 | I | B | 0.0000 | |
| 184 | Q | B | -2.0377 | |
| 185 | V | B | 0.0000 | |
| 186 | Q | B | -1.6479 | |
| 187 | E | B | -2.0738 | |
| 188 | P | B | 0.0000 | |
| 189 | F | B | 0.0000 | |
| 190 | T | B | -1.0245 | |
| 191 | R | B | -1.4703 | |
| 192 | P | B | 0.0000 | |
| 193 | V | B | -0.0292 | |
| 194 | L | B | 0.0000 | |
| 195 | R | B | -1.6013 | |
| 196 | A | B | -0.8602 | |
| 197 | S | B | -0.6828 | |
| 198 | S | B | -0.3436 | |
| 199 | F | B | 0.3602 | |
| 200 | Q | B | -0.5389 | |
| 201 | P | B | 0.0000 | |
| 202 | I | B | 0.5335 | |
| 203 | S | B | 0.1444 | |
| 204 | G | B | -0.0903 | |
| 205 | N | B | -0.6900 | |
| 206 | P | B | -0.7257 | |
| 207 | V | B | 0.0000 | |
| 208 | T | B | -0.9719 | |
| 209 | L | B | 0.0000 | |
| 210 | T | B | -1.2452 | |
| 211 | C | B | 0.0000 | |
| 212 | E | B | -1.2527 | |
| 213 | T | B | -0.6233 | |
| 214 | Q | B | -0.6652 | |
| 215 | L | B | -0.8308 | |
| 216 | S | B | -0.8076 | |
| 217 | L | B | -0.4321 | |
| 218 | E | B | -0.8455 | |
| 219 | R | B | -1.0813 | |
| 220 | S | B | -1.0386 | |
| 221 | D | B | -1.8675 | |
| 222 | V | B | -0.7153 | |
| 223 | P | B | -0.2635 | |
| 224 | L | B | 0.0000 | |
| 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 | -1.5760 | |
| 231 | D | B | -2.2045 | |
| 232 | D | B | -2.7668 | |
| 233 | Q | B | -2.4675 | |
| 234 | T | B | -1.1206 | |
| 235 | L | B | -0.4072 | |
| 236 | G | B | 0.1449 | |
| 237 | L | B | 1.0564 | |
| 238 | G | B | -0.1731 | |
| 239 | W | B | 0.0000 | |
| 240 | S | B | 0.2359 | |
| 241 | L | B | 0.7167 | |
| 242 | S | B | 0.0901 | |
| 243 | P | B | -0.4948 | |
| 244 | N | B | -1.3293 | |
| 245 | F | B | -0.7224 | |
| 246 | Q | B | -1.2594 | |
| 247 | I | B | -0.6137 | |
| 248 | T | B | -0.5403 | |
| 249 | A | B | -0.2716 | |
| 250 | M | B | 0.0000 | |
| 251 | W | B | 0.2867 | |
| 252 | S | B | -0.3930 | |
| 253 | K | B | -1.5649 | |
| 254 | D | B | 0.0000 | |
| 255 | S | B | -0.5598 | |
| 256 | G | B | 0.0000 | |
| 257 | F | B | -0.4005 | |
| 258 | Y | B | 0.0000 | |
| 259 | W | B | -0.8341 | |
| 260 | C | B | 0.0000 | |
| 261 | K | B | 0.0000 | |
| 262 | A | B | 0.0000 | |
| 263 | A | B | 0.0000 | |
| 264 | T | B | 0.0000 | |
| 265 | M | B | 0.0017 | |
| 266 | P | B | 0.0000 | |
| 267 | Y | B | 0.0000 | |
| 268 | S | B | 0.0000 | |
| 269 | V | B | 0.0000 | |
| 270 | I | B | 0.0000 | |
| 271 | S | B | 0.0000 | |
| 272 | D | B | -0.7856 | |
| 273 | S | B | 0.0000 | |
| 274 | P | B | -1.0624 | |
| 275 | R | B | -1.5726 | |
| 276 | S | B | -0.4347 | |
| 277 | W | B | 0.4637 | |
| 278 | I | B | 0.0000 | |
| 279 | Q | B | -0.3453 | |
| 280 | V | B | 0.0000 | |
| 281 | Q | B | 0.3050 | |
| 282 | I | B | 1.0859 | |
| 283 | P | B | 0.1761 | |
| 284 | A | B | 0.0000 | |
| 285 | S | B | -0.9678 | |
| 286 | H | B | -1.5009 | |
| 287 | P | B | 0.0000 | |
| 288 | V | B | 0.8838 | |
| 289 | L | B | 0.0000 | |
| 290 | T | B | -0.0953 | |
| 291 | L | B | -0.7590 | |
| 292 | S | B | -1.4117 | |
| 293 | P | B | -1.6686 | |
| 294 | E | B | -2.5405 | |
| 295 | K | B | -2.2463 | |
| 296 | A | B | -0.8226 | |
| 297 | L | B | 0.8301 | |
| 298 | N | B | -0.1012 | |
| 299 | F | B | 0.3615 | |
| 300 | E | B | -0.7249 | |
| 301 | G | B | -0.9166 | |
| 302 | T | B | -0.8202 | |
| 303 | K | B | -1.9037 | |
| 304 | V | B | 0.0000 | |
| 305 | T | B | -0.7421 | |
| 306 | L | B | 0.0000 | |
| 307 | H | B | 0.0214 | |
| 308 | C | B | 0.0000 | |
| 309 | E | B | -0.7886 | |
| 310 | T | B | 0.0000 | |
| 311 | Q | B | -1.7541 | |
| 312 | E | B | -1.4870 | |
| 313 | D | B | -1.4492 | |
| 314 | S | B | -0.6312 | |
| 315 | L | B | 0.3376 | |
| 316 | R | B | -0.9715 | |
| 317 | T | B | 0.0000 | |
| 318 | L | B | 0.5704 | |
| 319 | Y | B | -0.3550 | |
| 320 | R | B | -1.5804 | |
| 321 | F | B | 0.0000 | |
| 322 | Y | B | -0.4781 | |
| 323 | H | B | -0.8273 | |
| 324 | E | B | -1.7487 | |
| 325 | G | B | -0.5118 | |
| 326 | V | B | 0.7638 | |
| 327 | P | B | -0.2994 | |
| 328 | L | B | -1.2152 | |
| 329 | R | B | -2.4226 | |
| 330 | H | B | -2.1807 | |
| 331 | K | B | -2.3026 | |
| 332 | S | B | -0.8466 | |
| 333 | V | B | 0.5472 | |
| 334 | R | B | -0.4813 | |
| 335 | C | B | -1.0181 | |
| 336 | E | B | -2.0679 | |
| 337 | R | B | -2.1279 | |
| 338 | G | B | 0.0000 | |
| 339 | A | B | 0.0000 | |
| 340 | S | B | -0.3861 | |
| 341 | I | B | 0.0000 | |
| 342 | S | B | -0.6535 | |
| 343 | F | B | -0.6420 | |
| 344 | S | B | -0.9936 | |
| 345 | L | B | 0.0000 | |
| 346 | T | B | -1.0905 | |
| 347 | T | B | -1.2672 | |
| 348 | E | B | -2.0517 | |
| 349 | N | B | -1.5391 | |
| 350 | S | B | -1.3119 | |
| 351 | G | B | -1.3378 | |
| 352 | N | B | -1.5356 | |
| 353 | Y | B | 0.0000 | |
| 354 | Y | B | -0.4163 | |
| 355 | C | B | 0.0000 | |
| 356 | T | B | -0.7161 | |
| 357 | A | B | 0.0000 | |
| 358 | D | B | -0.9203 | |
| 359 | N | B | -0.5357 | |
| 360 | G | B | -0.5762 | |
| 361 | L | B | 0.0476 | |
| 362 | G | B | -0.5804 | |
| 363 | A | B | -0.7609 | |
| 364 | K | B | -1.1708 | |
| 365 | P | B | -1.0064 | |
| 366 | S | B | -0.7001 | |
| 367 | K | B | -1.4221 | |
| 368 | A | B | -0.7770 | |
| 369 | V | B | -0.0957 | |
| 370 | S | B | -0.7233 | |
| 371 | L | B | 0.0000 | |
| 372 | S | B | -0.4582 | |
| 373 | V | B | 0.0000 | |
| 374 | T | B | 0.3133 | |
| 375 | V | B | 0.0000 | |
| 376 | P | B | -0.4745 | |
| 377 | V | B | 0.0000 | |
| 378 | S | B | -1.7206 | |
| 379 | H | B | -2.3136 | |
| 380 | P | B | 0.0000 | |
| 381 | V | B | -0.6573 | |
| 382 | L | B | 0.0000 | |
| 383 | N | B | -0.6540 | |
| 384 | L | B | -0.1425 | |
| 385 | S | B | -0.9356 | |
| 386 | S | B | -1.3223 | |
| 387 | P | B | -1.5536 | |
| 388 | E | B | -2.2063 | |
| 389 | D | B | -2.0077 | |
| 390 | L | B | -0.3638 | |
| 391 | I | B | -0.2505 | |
| 392 | F | B | -0.0090 | |
| 393 | E | B | -0.8019 | |
| 394 | G | B | -0.9195 | |
| 395 | A | B | 0.0000 | |
| 396 | K | B | -2.0776 | |
| 397 | V | B | 0.0000 | |
| 398 | T | B | -0.6016 | |
| 399 | L | B | 0.0000 | |
| 400 | H | B | -0.4360 | |
| 401 | C | B | 0.0000 | |
| 402 | E | B | -0.9917 | |
| 403 | A | B | -1.6352 | |
| 404 | Q | B | -2.1008 | |
| 405 | R | B | -2.1284 | |
| 406 | G | B | -1.1201 | |
| 407 | S | B | -0.3718 | |
| 408 | L | B | 0.0523 | |
| 409 | P | B | -0.3655 | |
| 410 | I | B | 0.0000 | |
| 411 | L | B | -0.7610 | |
| 412 | Y | B | 0.0000 | |
| 413 | Q | B | -1.6137 | |
| 414 | F | B | 0.0000 | |
| 415 | H | B | -0.9765 | |
| 416 | H | B | -1.2606 | |
| 417 | E | B | -2.3289 | |
| 418 | G | B | -1.3841 | |
| 419 | A | B | -0.6129 | |
| 420 | A | B | -0.5747 | |
| 421 | L | B | -0.5218 | |
| 422 | E | B | -1.7990 | |
| 423 | R | B | -2.7197 | |
| 424 | R | B | -2.2419 | |
| 425 | S | B | -1.3239 | |
| 426 | A | B | 0.0000 | |
| 427 | N | B | -1.2342 | |
| 428 | S | B | -0.7592 | |
| 429 | A | B | -0.8177 | |
| 430 | G | B | -0.8330 | |
| 431 | G | B | -0.7638 | |
| 432 | V | B | -0.5791 | |
| 433 | A | B | -0.4554 | |
| 434 | I | B | 0.0000 | |
| 435 | S | B | -0.4579 | |
| 436 | F | B | -0.3933 | |
| 437 | S | B | -0.9585 | |
| 438 | L | B | 0.0000 | |
| 439 | T | B | -1.0607 | |
| 440 | A | B | -1.0970 | |
| 441 | E | B | -2.0457 | |
| 442 | H | B | -1.5796 | |
| 443 | S | B | -1.2787 | |
| 444 | G | B | -1.3839 | |
| 445 | N | B | -1.6724 | |
| 446 | Y | B | 0.0000 | |
| 447 | Y | B | -1.1805 | |
| 448 | C | B | 0.0000 | |
| 449 | T | B | -1.5707 | |
| 450 | A | B | 0.0000 | |
| 451 | D | B | -0.8994 | |
| 452 | N | B | -0.3104 | |
| 453 | G | B | -0.3441 | |
| 454 | F | B | 0.2940 | |
| 455 | G | B | -0.4666 | |
| 456 | P | B | -1.1776 | |
| 457 | Q | B | -1.7559 | |
| 458 | R | B | -2.6713 | |
| 459 | S | B | 0.0000 | |
| 460 | K | B | -2.1396 | |
| 461 | A | B | -1.2911 | |
| 462 | V | B | -0.3536 | |
| 463 | S | B | -0.7437 | |
| 464 | L | B | 0.0000 | |
| 465 | S | B | -0.4612 | |
| 466 | V | B | 0.0000 | |
| 467 | T | B | 0.1176 | |
| 468 | V | B | 0.0000 | |
| 469 | P | B | -0.5804 | |
| 470 | V | B | 0.0000 | |
| 471 | S | B | -1.6588 | |
| 472 | H | B | -2.3207 | |
| 473 | P | B | 0.0000 | |
| 474 | V | B | -0.8759 | |
| 475 | L | B | 0.0000 | |
| 476 | T | B | 0.0603 | |
| 477 | L | B | 0.3560 | |
| 478 | S | B | -0.2198 | |
| 479 | S | B | -0.4519 | |
| 480 | A | B | -0.6603 | |
| 481 | E | B | -1.3509 | |
| 482 | A | B | -0.3819 | |
| 483 | L | B | 0.4332 | |
| 484 | T | B | 0.3336 | |
| 485 | F | B | -0.1048 | |
| 486 | E | B | -1.2581 | |
| 487 | G | B | -1.0743 | |
| 488 | A | B | -0.6726 | |
| 489 | T | B | -0.5969 | |
| 490 | V | B | 0.0000 | |
| 491 | T | B | 0.0124 | |
| 492 | L | B | 0.0000 | |
| 493 | H | B | -0.6877 | |
| 494 | C | B | 0.0000 | |
| 495 | E | B | -2.2824 | |
| 496 | V | B | 0.0000 | |
| 497 | Q | B | -2.2756 | |
| 498 | R | B | -2.0321 | |
| 499 | G | B | -1.2570 | |
| 500 | S | B | -0.7935 | |
| 501 | P | B | -1.2419 | |
| 502 | Q | B | -1.5131 | |
| 503 | I | B | 0.0000 | |
| 504 | L | B | -0.2807 | |
| 505 | Y | B | 0.0000 | |
| 506 | Q | B | -0.3092 | |
| 507 | F | B | 0.0000 | |
| 508 | Y | B | -0.5476 | |
| 509 | H | B | 0.0000 | |
| 510 | E | B | -2.5151 | |
| 511 | D | B | -2.3389 | |
| 512 | M | B | -0.5769 | |
| 513 | P | B | -0.2866 | |
| 514 | L | B | 0.2799 | |
| 515 | W | B | 0.6035 | |
| 516 | S | B | 0.0767 | |
| 517 | S | B | -0.0134 | |
| 518 | S | B | -0.5210 | |
| 519 | T | B | -0.7026 | |
| 520 | P | B | -0.7880 | |
| 521 | S | B | -0.8138 | |
| 522 | V | B | -1.0128 | |
| 523 | G | B | -1.6774 | |
| 524 | R | B | -2.4530 | |
| 525 | V | B | 0.0000 | |
| 526 | S | B | -0.5671 | |
| 527 | F | B | 0.2983 | |
| 528 | S | B | 0.0269 | |
| 529 | F | B | -0.0131 | |
| 530 | S | B | -0.4752 | |
| 531 | L | B | 0.0000 | |
| 532 | T | B | -1.5267 | |
| 533 | E | B | -2.2633 | |
| 534 | G | B | -1.3706 | |
| 535 | H | B | -1.1215 | |
| 536 | S | B | -0.5340 | |
| 537 | G | B | -0.5770 | |
| 538 | N | B | -1.0875 | |
| 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 | -1.1406 | |
| 545 | N | B | -0.8376 | |
| 546 | G | B | -0.5415 | |
| 547 | F | B | 0.2099 | |
| 548 | G | B | -0.5756 | |
| 549 | P | B | -1.2685 | |
| 550 | Q | B | -1.9316 | |
| 551 | R | B | -2.6220 | |
| 552 | S | B | 0.0000 | |
| 553 | E | B | -1.5201 | |
| 554 | V | B | -0.0981 | |
| 555 | V | B | 0.2898 | |
| 556 | S | B | 0.4797 | |
| 557 | L | B | 0.0000 | |
| 558 | F | B | 1.4953 | |
| 559 | V | B | 0.0000 | |
| 560 | T | B | 0.1078 | |
| 561 | V | B | -0.6529 | |
| 562 | P | B | -0.6452 | |
| 563 | V | B | 0.0000 | |
| 564 | S | B | -1.6923 | |
| 565 | R | B | -2.6208 | |
| 566 | P | B | 0.0000 | |
| 567 | I | B | 0.4385 | |
| 568 | L | B | 0.0000 | |
| 569 | T | B | -0.1694 | |
| 570 | L | B | -0.9482 | |
| 571 | R | B | -2.3019 | |
| 572 | V | B | -1.2674 | |
| 573 | P | B | -1.4029 | |
| 574 | R | B | -2.3391 | |
| 575 | A | B | -1.5825 | |
| 576 | Q | B | -1.7418 | |
| 577 | A | B | 0.0000 | |
| 578 | V | B | 0.0000 | |
| 579 | V | B | 0.2892 | |
| 580 | G | B | 0.1069 | |
| 581 | D | B | 0.0000 | |
| 582 | L | B | 0.0480 | |
| 583 | L | B | 0.0000 | |
| 584 | E | B | -1.6131 | |
| 585 | L | B | 0.0000 | |
| 586 | H | B | -1.1476 | |
| 587 | C | B | 0.0000 | |
| 588 | E | B | -1.8190 | |
| 589 | A | B | 0.0000 | |
| 590 | P | B | -1.6035 | |
| 591 | R | B | -2.6360 | |
| 592 | G | B | -1.6276 | |
| 593 | S | B | -0.9541 | |
| 594 | P | B | -0.8705 | |
| 595 | P | B | -0.6921 | |
| 596 | I | B | 0.0000 | |
| 597 | L | B | 0.1102 | |
| 598 | Y | B | 0.0000 | |
| 599 | W | B | 0.2784 | |
| 600 | F | B | 0.0000 | |
| 601 | Y | B | -0.0932 | |
| 602 | H | B | -0.6987 | |
| 603 | E | B | -1.9152 | |
| 604 | D | B | -1.6160 | |
| 605 | V | B | 0.5766 | |
| 606 | T | B | 0.4353 | |
| 607 | L | B | 0.4023 | |
| 608 | G | B | 0.2668 | |
| 609 | S | B | 0.1520 | |
| 610 | S | B | -0.1808 | |
| 611 | S | B | -0.5128 | |
| 612 | A | B | 0.0000 | |
| 613 | P | B | -0.5871 | |
| 614 | S | B | -0.8108 | |
| 615 | G | B | -1.3765 | |
| 616 | G | B | -1.9465 | |
| 617 | E | B | -2.2902 | |
| 618 | A | B | 0.0000 | |
| 619 | S | B | -1.0661 | |
| 620 | F | B | -0.5267 | |
| 621 | N | B | -1.3809 | |
| 622 | L | B | -0.3945 | |
| 623 | S | B | -0.1703 | |
| 624 | L | B | 0.0000 | |
| 625 | T | B | -0.3806 | |
| 626 | A | B | -0.7069 | |
| 627 | E | B | -1.8708 | |
| 628 | H | B | -1.2286 | |
| 629 | S | B | -1.0159 | |
| 630 | G | B | -1.0956 | |
| 631 | N | B | -1.5062 | |
| 632 | Y | B | 0.0000 | |
| 633 | S | B | -0.8649 | |
| 634 | C | B | 0.0000 | |
| 635 | E | B | -0.9312 | |
| 636 | A | B | 0.0000 | |
| 637 | N | B | -0.6502 | |
| 638 | N | B | -0.3826 | |
| 639 | G | B | -0.2384 | |
| 640 | L | B | 0.5158 | |
| 641 | V | B | 0.5214 | |
| 642 | A | B | -0.5114 | |
| 643 | Q | B | -1.6712 | |
| 644 | H | B | -1.8692 | |
| 645 | S | B | 0.0000 | |
| 646 | D | B | -1.8936 | |
| 647 | T | B | -0.9423 | |
| 648 | I | B | -0.1491 | |
| 649 | S | B | -0.3758 | |
| 650 | L | B | -0.2504 | |
| 651 | S | B | -0.6162 | |
| 652 | V | B | 0.0000 | |
| 653 | I | B | 0.2445 | |
| 654 | V | B | 0.1869 | |
| 655 | P | B | -0.8599 | |
| 656 | V | B | 0.0000 | |
| 657 | S | B | -1.6757 | |
| 658 | R | B | -2.5999 | |
| 659 | P | B | 0.0000 | |
| 660 | I | B | 0.1373 | |
| 661 | L | B | 0.0000 | |
| 662 | T | B | -0.2260 | |
| 663 | F | B | -0.7557 | |
| 664 | R | B | -2.1543 | |
| 665 | A | B | -1.4911 | |
| 666 | P | B | -1.4914 | |
| 667 | R | B | -2.3543 | |
| 668 | A | B | -1.4932 | |
| 669 | Q | B | -1.6175 | |
| 670 | A | B | 0.0000 | |
| 671 | V | B | 0.0000 | |
| 672 | V | B | 0.1264 | |
| 673 | G | B | -0.0065 | |
| 674 | D | B | 0.0000 | |
| 675 | L | B | -0.0098 | |
| 676 | L | B | 0.0000 | |
| 677 | E | B | -1.2118 | |
| 678 | L | B | 0.0000 | |
| 679 | H | B | -0.7700 | |
| 680 | C | B | 0.0000 | |
| 681 | E | B | -0.8721 | |
| 682 | A | B | 0.0000 | |
| 683 | L | B | 0.0380 | |
| 684 | R | B | -1.6805 | |
| 685 | G | B | -0.9856 | |
| 686 | S | B | -0.6269 | |
| 687 | S | B | -0.8473 | |
| 688 | P | B | -0.7732 | |
| 689 | I | B | 0.0000 | |
| 690 | L | B | -0.3907 | |
| 691 | Y | B | 0.0000 | |
| 692 | W | B | -0.3914 | |
| 693 | F | B | 0.0000 | |
| 694 | Y | B | -0.1006 | |
| 695 | H | B | -0.3471 | |
| 696 | E | B | -1.4822 | |
| 697 | D | B | -1.5164 | |
| 698 | V | B | 0.5286 | |
| 699 | T | B | 0.1384 | |
| 700 | L | B | 0.0599 | |
| 701 | G | B | -0.2361 | |
| 702 | K | B | -1.2240 | |
| 703 | I | B | -0.2167 | |
| 704 | S | B | -0.4574 | |
| 705 | A | B | 0.0000 | |
| 706 | P | B | -0.5643 | |
| 707 | S | B | -0.6364 | |
| 708 | G | B | -0.8423 | |
| 709 | G | B | -0.8488 | |
| 710 | G | B | -0.3914 | |
| 711 | A | B | 0.0000 | |
| 712 | S | B | -0.8282 | |
| 713 | F | B | -0.4904 | |
| 714 | N | B | -1.2067 | |
| 715 | L | B | -0.3361 | |
| 716 | S | B | -0.1511 | |
| 717 | L | B | 0.0000 | |
| 718 | T | B | -0.5430 | |
| 719 | T | B | -1.1306 | |
| 720 | E | B | -2.0838 | |
| 721 | H | B | -1.4389 | |
| 722 | S | B | -1.4267 | |
| 723 | G | B | -0.8050 | |
| 724 | I | B | -0.2953 | |
| 725 | Y | B | 0.0000 | |
| 726 | S | B | 0.0000 | |
| 727 | C | B | 0.0000 | |
| 728 | E | B | -1.4780 | |
| 729 | A | B | 0.0000 | |
| 730 | D | B | -1.4935 | |
| 731 | N | B | -0.9295 | |
| 732 | G | B | -0.8832 | |
| 733 | L | B | -0.8419 | |
| 734 | E | B | -2.0406 | |
| 735 | A | B | -1.7853 | |
| 736 | Q | B | -2.3678 | |
| 737 | R | B | -2.1535 | |
| 738 | S | B | 0.0000 | |
| 739 | E | B | -1.5557 | |
| 740 | M | B | 0.1611 | |
| 741 | V | B | 0.6409 | |
| 742 | T | B | -0.1867 | |
| 743 | L | B | 0.0000 | |
| 744 | K | B | -2.0323 | |
| 745 | V | B | 0.0000 | |
| 746 | A | B | 0.0000 | |
| 747 | V | B | -0.2298 | |
| 748 | P | B | -0.5389 | |
| 749 | V | B | 0.0000 | |
| 750 | S | B | -1.2484 | |
| 751 | R | B | -2.3480 | |
| 752 | P | B | 0.0000 | |
| 753 | V | B | 0.4350 | |
| 754 | L | B | 0.0000 | |
| 755 | T | B | -0.6357 | |
| 756 | L | B | 0.0000 | |
| 757 | R | B | -2.1877 | |
| 758 | A | B | -1.3065 | |
| 759 | P | B | -0.8911 | |
| 760 | G | B | -1.0891 | |
| 761 | T | B | -0.4684 | |
| 762 | H | B | -0.5498 | |
| 763 | A | B | 0.0000 | |
| 764 | A | B | 0.5917 | |
| 765 | V | B | 1.2501 | |
| 766 | G | B | 0.3684 | |
| 767 | D | B | 0.2598 | |
| 768 | L | B | 0.8423 | |
| 769 | L | B | 0.0000 | |
| 770 | E | B | -1.5091 | |
| 771 | L | B | 0.0000 | |
| 772 | H | B | -0.8546 | |
| 773 | C | B | 0.0000 | |
| 774 | E | B | -0.5569 | |
| 775 | A | B | 0.0000 | |
| 776 | L | B | 0.4104 | |
| 777 | R | B | -1.2701 | |
| 778 | G | B | -0.5851 | |
| 779 | S | B | -0.2307 | |
| 780 | P | B | 0.1611 | |
| 781 | L | B | 1.0215 | |
| 782 | I | B | 0.0000 | |
| 783 | L | B | -0.4988 | |
| 784 | Y | B | 0.0000 | |
| 785 | R | B | -1.5182 | |
| 786 | F | B | 0.0000 | |
| 787 | F | B | -0.5898 | |
| 788 | H | B | -0.9331 | |
| 789 | E | B | -2.1371 | |
| 790 | D | B | -1.7297 | |
| 791 | V | B | 0.4991 | |
| 792 | T | B | 0.0233 | |
| 793 | L | B | 0.0418 | |
| 794 | G | B | -0.9014 | |
| 795 | N | B | -2.2696 | |
| 796 | R | B | -2.5562 | |
| 797 | S | B | -1.1220 | |
| 798 | S | B | -0.5177 | |
| 799 | P | B | -0.0355 | |
| 800 | S | B | -0.5207 | |
| 801 | G | B | -0.7410 | |
| 802 | G | B | -0.5714 | |
| 803 | A | B | 0.0000 | |
| 804 | S | B | -1.3886 | |
| 805 | L | B | -1.1208 | |
| 806 | N | B | -0.9706 | |
| 807 | L | B | -0.2498 | |
| 808 | S | B | 0.0807 | |
| 809 | L | B | 0.0000 | |
| 810 | T | B | -0.2022 | |
| 811 | A | B | -0.1390 | |
| 812 | E | B | -1.5461 | |
| 813 | H | B | -0.9443 | |
| 814 | S | B | -0.5383 | |
| 815 | G | B | -0.7884 | |
| 816 | N | B | -1.3132 | |
| 817 | Y | B | 0.0000 | |
| 818 | S | B | 0.0000 | |
| 819 | C | B | 0.0000 | |
| 820 | E | B | -1.4619 | |
| 821 | A | B | 0.0000 | |
| 822 | D | B | -0.7476 | |
| 823 | N | B | -0.0945 | |
| 824 | G | B | -0.2551 | |
| 825 | L | B | -0.1131 | |
| 826 | G | B | -0.4212 | |
| 827 | A | B | -1.0276 | |
| 828 | Q | B | -1.7991 | |
| 829 | R | B | -1.9845 | |
| 830 | S | B | 0.0000 | |
| 831 | E | B | -2.0032 | |
| 832 | T | B | -1.1026 | |
| 833 | V | B | -0.2911 | |
| 834 | T | B | -0.2598 | |
| 835 | L | B | 0.0000 | |
| 836 | Y | B | 0.8667 | |
| 837 | I | B | 0.5857 | |
| 838 | T | B | 0.6106 | |
| 839 | G | B | 0.5574 | |
| 840 | L | B | 1.0299 | |
| 841 | T | B | 0.2709 | |
| 842 | A | B | -0.6799 | |
| 843 | N | B | -2.0443 | |
| 844 | R | B | -2.6472 | |
| 845 | S | B | -1.6558 | |
| 846 | G | B | -0.6199 | |
| 847 | P | B | 0.4270 | |
| 848 | F | B | 1.7253 | |
| 849 | A | B | 0.8515 | |
| 850 | T | B | 0.5707 | |
| 851 | G | B | 0.5336 | |
| 852 | V | B | 1.3714 | |
| 853 | A | B | 0.7156 | |
| 854 | G | B | 0.2194 | |
| 855 | G | B | 0.5764 | |
| 856 | L | B | 1.9501 | |
| 857 | L | B | 2.5304 | |
| 858 | S | B | 2.0237 | |
| 859 | I | B | 2.3333 | |
| 860 | A | B | 1.4249 | |
| 861 | G | B | 0.9029 | |
| 862 | L | B | 1.5204 | |
| 863 | A | B | 0.7569 | |
| 864 | A | B | 0.3946 | |
| 865 | G | B | 0.4537 | |
| 866 | A | B | 1.2401 | |
| 867 | L | B | 2.8201 | |
| 868 | L | B | 3.5799 | |
| 869 | L | B | 3.7531 | |
| 870 | Y | B | 3.4068 | |
| 871 | C | B | 3.0223 | |
| 872 | W | B | 2.8086 | |
| 873 | L | B | 1.7695 | |
| 874 | S | B | -0.5978 | |
| 875 | R | B | -2.4399 | |
| 876 | K | B | -2.7219 | |
| 877 | A | B | -1.9165 | |
| 878 | G | B | -2.1134 | |
| 879 | R | B | -3.0397 | |
| 880 | K | B | -2.9345 | |
| 881 | P | B | -1.7234 | |
| 882 | A | B | -1.2053 | |
| 883 | S | B | -1.2215 | |
| 884 | D | B | -2.2170 | |
| 885 | P | B | -1.5888 | |
| 886 | A | B | -1.5308 | |
| 887 | R | B | -2.2388 | |
| 888 | S | B | -1.2815 | |
| 889 | P | B | -1.3564 | |
| 890 | S | B | -1.5248 | |
| 891 | D | B | -2.5020 | |
| 892 | S | B | -2.2171 | |
| 893 | D | B | -2.7042 | |
| 894 | S | B | -2.4191 | |
| 895 | Q | B | -2.6835 | |
| 896 | E | B | -2.5961 | |
| 897 | P | B | -1.2142 | |
| 898 | T | B | -0.3380 | |
| 899 | Y | B | 0.6195 | |
| 900 | H | B | -0.5434 | |
| 901 | N | B | -0.6754 | |
| 902 | V | B | 1.0905 | |
| 903 | P | B | 0.4231 | |
| 904 | A | B | 0.1385 | |
| 905 | W | B | 0.2548 | |
| 906 | E | B | -1.8390 | |
| 907 | E | B | -2.0528 | |
| 908 | L | B | -0.1055 | |
| 909 | Q | B | -0.6148 | |
| 910 | P | B | 0.5114 | |
| 911 | V | B | 1.9708 | |
| 912 | Y | B | 1.5898 | |
| 913 | T | B | 0.2888 | |
| 914 | N | B | -1.1019 | |
| 915 | A | B | -1.3119 | |
| 916 | N | B | -2.2801 | |
| 917 | P | B | -2.2415 | |
| 918 | R | B | -3.1560 | |
| 919 | G | B | -2.5304 | |
| 920 | E | B | -2.4834 | |
| 921 | N | B | -0.9249 | |
| 922 | V | B | 1.8077 | |
| 923 | V | B | 2.3333 | |
| 924 | Y | B | 2.1459 | |
| 925 | S | B | 0.5326 | |
| 926 | E | B | -0.7478 | |
| 927 | V | B | 0.9191 | |
| 928 | R | B | -0.1349 | |
| 929 | I | B | 1.7580 | |
| 930 | I | B | 1.3531 | |
| 931 | Q | B | -1.4953 | |
| 932 | E | B | -3.0658 | |
| 933 | K | B | -4.0527 | |
| 934 | K | B | -4.2356 | |
| 935 | K | B | -3.4645 | |
| 936 | H | B | -1.9079 | |
| 937 | A | B | -0.2920 | |
| 938 | V | B | 1.1379 | |
| 939 | A | B | 0.2745 | |
| 940 | S | B | -0.8319 | |
| 941 | D | B | -2.4630 | |
| 942 | P | B | -2.0212 | |
| 943 | R | B | -2.8063 | |
| 944 | H | B | -2.1529 | |
| 945 | L | B | -0.8854 | |
| 946 | R | B | -2.7685 | |
| 947 | N | B | -2.8657 | |
| 948 | K | B | -2.9498 | |
| 949 | G | B | -1.7854 | |
| 950 | S | B | -0.4044 | |
| 951 | P | B | 1.0125 | |
| 952 | I | B | 3.0781 | |
| 953 | I | B | 3.2530 | |
| 954 | Y | B | 2.4299 | |
| 955 | S | B | 0.6182 | |
| 956 | E | B | -0.7250 | |
| 957 | V | B | 0.6602 | |
| 958 | K | B | -0.5303 | |
| 959 | V | B | 1.1660 | |
| 960 | A | B | 0.5219 | |
| 961 | S | B | 0.1771 | |
| 962 | T | B | 0.3436 | |
| 963 | P | B | 0.4107 | |
| 964 | V | B | 1.3638 | |
| 965 | S | B | 0.2882 | |
| 966 | G | B | 0.2727 | |
| 967 | S | B | 0.8605 | |
| 968 | L | B | 2.7180 | |
| 969 | F | B | 3.4427 | |
| 970 | L | B | 2.7755 | |
| 971 | A | B | 1.0744 | |
| 972 | S | B | 0.3044 | |
| 973 | S | B | -0.2751 | |
| 974 | A | B | -0.6461 | |
| 975 | P | B | -1.2055 | |
| 976 | H | B | -2.0958 | |
| 977 | R | B | -2.4175 |
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 | -0.3556 | 6.9809 | View | CSV | PDB |
| 4.5 | -0.4173 | 6.9809 | View | CSV | PDB |
| 5.0 | -0.4948 | 6.9809 | View | CSV | PDB |
| 5.5 | -0.5736 | 6.9809 | View | CSV | PDB |
| 6.0 | -0.6386 | 6.9809 | View | CSV | PDB |
| 6.5 | -0.6787 | 6.9809 | View | CSV | PDB |
| 7.0 | -0.6927 | 6.9809 | View | CSV | PDB |
| 7.5 | -0.6894 | 6.9809 | View | CSV | PDB |
| 8.0 | -0.6774 | 6.9809 | View | CSV | PDB |
| 8.5 | -0.6601 | 6.9809 | View | CSV | PDB |
| 9.0 | -0.6375 | 6.9809 | 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