| Chain sequence(s) |
A: EFTPEERKRDAEETIASARAYLAKALADPSNTPEEKAIIKERAEEIEKLAKEYVEKNIPIEEANKRMNEIDTKTGAKLAA
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. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:23:10)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c1dbe209738f704/tmp/folded.pdb (00:23:10)
[INFO] Main: Simulation completed successfully. (00:34:41)
|
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 | E | A | -2.0492 | |
| 2 | F | A | 0.0000 | |
| 3 | T | A | -1.6861 | |
| 4 | P | A | -2.3242 | |
| 5 | E | A | -2.7791 | |
| 6 | E | A | -2.3608 | |
| 7 | R | A | 0.0000 | |
| 8 | K | A | -3.6829 | |
| 9 | R | A | -3.1919 | |
| 10 | D | A | 0.0000 | |
| 11 | A | A | 0.0000 | |
| 12 | E | A | -3.3097 | |
| 13 | E | A | -2.7295 | |
| 14 | T | A | 0.0000 | |
| 15 | I | A | -2.0857 | |
| 16 | A | A | -1.4066 | |
| 17 | S | A | -1.3898 | |
| 18 | A | A | 0.0000 | |
| 19 | R | A | -2.3601 | |
| 20 | A | A | -1.2487 | |
| 21 | Y | A | -1.2089 | |
| 22 | L | A | -1.3215 | |
| 23 | A | A | -1.0672 | |
| 24 | K | A | -1.7924 | |
| 25 | A | A | 0.0000 | |
| 26 | L | A | -0.3034 | |
| 27 | A | A | -0.6545 | |
| 28 | D | A | -1.2639 | |
| 29 | P | A | -0.9032 | |
| 30 | S | A | -0.7154 | |
| 31 | N | A | -1.0487 | |
| 32 | T | A | -1.1453 | |
| 33 | P | A | -1.3311 | |
| 34 | E | A | -2.3877 | |
| 35 | E | A | -1.7774 | |
| 36 | K | A | -1.6135 | |
| 37 | A | A | -1.3915 | |
| 38 | I | A | -1.5811 | |
| 39 | I | A | 0.0000 | |
| 40 | K | A | -2.4949 | |
| 41 | E | A | -2.7242 | |
| 42 | R | A | 0.0000 | |
| 43 | A | A | 0.0000 | |
| 44 | E | A | -3.9230 | |
| 45 | E | A | -3.5345 | |
| 46 | I | A | 0.0000 | |
| 47 | E | A | -3.1572 | |
| 48 | K | A | -3.3895 | |
| 49 | L | A | 0.0000 | |
| 50 | A | A | 0.0000 | |
| 51 | K | A | -3.6449 | |
| 52 | E | A | -2.8631 | |
| 53 | Y | A | 0.0000 | |
| 54 | V | A | -3.1571 | |
| 55 | E | A | -3.6248 | |
| 56 | K | A | -3.4642 | |
| 57 | N | A | -3.0595 | |
| 58 | I | A | 0.0000 | |
| 59 | P | A | -2.2099 | |
| 60 | I | A | 0.0000 | |
| 61 | E | A | -3.0354 | |
| 62 | E | A | -3.5490 | |
| 63 | A | A | 0.0000 | |
| 64 | N | A | -2.7117 | |
| 65 | K | A | -3.8732 | |
| 66 | R | A | -3.2133 | |
| 67 | M | A | 0.0000 | |
| 68 | N | A | 0.0000 | |
| 69 | E | A | -2.6707 | |
| 70 | I | A | -2.0480 | |
| 71 | D | A | -1.6082 | |
| 72 | T | A | -1.6244 | |
| 73 | K | A | -2.2953 | |
| 74 | T | A | 0.0000 | |
| 75 | G | A | 0.0000 | |
| 76 | A | A | -1.2919 | |
| 77 | K | A | -1.7031 | |
| 78 | L | A | 0.0000 | |
| 79 | A | A | -0.7559 | |
| 80 | A | A | -0.2593 | |
| 1 | M | B | 2.3760 | |
| 2 | L | B | 3.4038 | |
| 3 | L | B | 3.9882 | |
| 4 | W | B | 4.2606 | |
| 5 | V | B | 4.7232 | |
| 6 | I | B | 4.9831 | |
| 7 | L | B | 4.8205 | |
| 8 | L | B | 4.5821 | |
| 9 | V | B | 4.0844 | |
| 10 | L | B | 3.4450 | |
| 11 | A | B | 2.0110 | |
| 12 | P | B | 1.2194 | |
| 13 | V | B | 1.5156 | |
| 14 | S | B | 0.2802 | |
| 15 | G | B | -0.0103 | |
| 16 | Q | B | -0.5605 | |
| 17 | F | B | 0.5931 | |
| 18 | A | B | -0.3677 | |
| 19 | R | B | -1.7262 | |
| 20 | T | B | -1.0520 | |
| 21 | P | B | -1.1805 | |
| 22 | R | B | -1.9135 | |
| 23 | P | B | 0.0000 | |
| 24 | I | B | 0.0000 | |
| 25 | I | B | 0.0000 | |
| 26 | F | B | 0.4647 | |
| 27 | L | B | 0.0000 | |
| 28 | Q | B | -1.6200 | |
| 29 | P | B | -1.1279 | |
| 30 | P | B | -0.3204 | |
| 31 | W | B | -0.1849 | |
| 32 | T | B | -0.4840 | |
| 33 | T | B | 0.0000 | |
| 34 | V | B | 0.0000 | |
| 35 | F | B | 0.0000 | |
| 36 | Q | B | -2.5072 | |
| 37 | G | B | -2.2047 | |
| 38 | E | B | -2.4961 | |
| 39 | R | B | -3.5682 | |
| 40 | V | B | 0.0000 | |
| 41 | T | B | -1.4746 | |
| 42 | L | B | 0.0000 | |
| 43 | T | B | -0.0663 | |
| 44 | C | B | 0.0000 | |
| 45 | K | B | -0.2009 | |
| 46 | G | B | -0.0862 | |
| 47 | F | B | 1.3194 | |
| 48 | R | B | 0.0388 | |
| 49 | F | B | 1.9479 | |
| 50 | Y | B | 1.8257 | |
| 51 | S | B | 0.1763 | |
| 52 | P | B | -0.7127 | |
| 53 | Q | B | -1.8223 | |
| 54 | K | B | -3.0549 | |
| 55 | T | B | 0.0000 | |
| 56 | K | B | -2.0011 | |
| 57 | W | B | 0.0000 | |
| 58 | Y | B | -0.7003 | |
| 59 | H | B | 0.0000 | |
| 60 | R | B | -1.9734 | |
| 61 | Y | B | -0.4115 | |
| 62 | L | B | 0.5981 | |
| 63 | G | B | -1.0062 | |
| 64 | K | B | -2.2953 | |
| 65 | E | B | -2.4445 | |
| 66 | I | B | -0.6746 | |
| 67 | L | B | -0.3606 | |
| 68 | R | B | -1.1018 | |
| 69 | E | B | -2.5158 | |
| 70 | T | B | -2.0275 | |
| 71 | P | B | -1.7085 | |
| 72 | D | B | -1.5584 | |
| 73 | N | B | -0.8138 | |
| 74 | I | B | -0.0634 | |
| 75 | L | B | 0.0000 | |
| 76 | E | B | -2.4642 | |
| 77 | V | B | 0.0000 | |
| 78 | Q | B | -3.2374 | |
| 79 | E | B | -2.3431 | |
| 80 | S | B | -1.3003 | |
| 81 | G | B | -1.2487 | |
| 82 | E | B | 0.0000 | |
| 83 | Y | B | 0.0000 | |
| 84 | R | B | -0.8062 | |
| 85 | C | B | 0.0000 | |
| 86 | Q | B | -1.7398 | |
| 87 | A | B | -1.7569 | |
| 88 | Q | B | -2.3235 | |
| 89 | G | B | -1.1196 | |
| 90 | S | B | 0.0000 | |
| 91 | P | B | -1.1602 | |
| 92 | L | B | -0.7085 | |
| 93 | S | B | 0.0000 | |
| 94 | S | B | -0.7728 | |
| 95 | P | B | -0.6954 | |
| 96 | V | B | 0.0000 | |
| 97 | H | B | -1.3696 | |
| 98 | L | B | 0.0000 | |
| 99 | D | B | -1.9651 | |
| 100 | F | B | 0.0000 | |
| 101 | S | B | -1.1705 | |
| 102 | S | B | -0.8769 | |
| 103 | A | B | -0.4009 | |
| 104 | S | B | -0.5560 | |
| 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 | 0.2064 | |
| 111 | L | B | 0.3287 | |
| 112 | S | B | -0.0654 | |
| 113 | V | B | 0.0000 | |
| 114 | F | B | 0.0000 | |
| 115 | E | B | -1.4737 | |
| 116 | G | B | -0.9367 | |
| 117 | D | B | -0.9830 | |
| 118 | S | B | -0.9419 | |
| 119 | V | B | 0.0000 | |
| 120 | V | B | -0.1634 | |
| 121 | L | B | 0.0000 | |
| 122 | R | B | -1.0159 | |
| 123 | C | B | 0.0000 | |
| 124 | R | B | -0.8914 | |
| 125 | A | B | -0.5871 | |
| 126 | K | B | -0.9606 | |
| 127 | A | B | -0.9731 | |
| 128 | E | B | -1.6211 | |
| 129 | V | B | 0.0000 | |
| 130 | T | B | -1.2646 | |
| 131 | L | B | -1.7909 | |
| 132 | N | B | -1.7704 | |
| 133 | N | B | 0.0000 | |
| 134 | T | B | 0.3657 | |
| 135 | I | B | 0.0000 | |
| 136 | Y | B | -0.2088 | |
| 137 | K | B | -1.5843 | |
| 138 | N | B | -2.6216 | |
| 139 | D | B | -2.6571 | |
| 140 | N | B | -1.6361 | |
| 141 | V | B | 1.0102 | |
| 142 | L | B | 1.0642 | |
| 143 | A | B | 1.4778 | |
| 144 | F | B | 1.3744 | |
| 145 | L | B | 0.0000 | |
| 146 | N | B | -2.3893 | |
| 147 | K | B | -3.1543 | |
| 148 | R | B | -3.0342 | |
| 149 | T | B | -1.8969 | |
| 150 | D | B | -1.2131 | |
| 151 | F | B | -0.2508 | |
| 152 | H | B | -0.8158 | |
| 153 | I | B | 0.0000 | |
| 154 | P | B | -1.0027 | |
| 155 | H | B | -1.5440 | |
| 156 | A | B | 0.0000 | |
| 157 | C | B | -0.8577 | |
| 158 | L | B | -0.0741 | |
| 159 | K | B | -1.3790 | |
| 160 | D | B | -1.2020 | |
| 161 | N | B | -1.5842 | |
| 162 | G | B | -1.8125 | |
| 163 | A | B | -2.1058 | |
| 164 | Y | B | 0.0000 | |
| 165 | R | B | -1.1983 | |
| 166 | C | B | 0.0000 | |
| 167 | T | B | 0.0106 | |
| 168 | G | B | 0.0000 | |
| 169 | Y | B | -0.2474 | |
| 170 | K | B | -1.1228 | |
| 171 | E | B | -1.9113 | |
| 172 | S | B | -0.9123 | |
| 173 | C | B | 0.1147 | |
| 174 | C | B | 0.2542 | |
| 175 | P | B | -0.0721 | |
| 176 | V | B | 0.3156 | |
| 177 | S | B | -0.1578 | |
| 178 | S | B | -0.4010 | |
| 179 | N | B | -0.8173 | |
| 180 | T | B | -1.1442 | |
| 181 | V | B | 0.0000 | |
| 182 | K | B | -2.2953 | |
| 183 | I | B | 0.0000 | |
| 184 | Q | B | -2.0199 | |
| 185 | V | B | 0.0000 | |
| 186 | Q | B | -1.6045 | |
| 187 | E | B | -2.2538 | |
| 188 | P | B | 0.0000 | |
| 189 | F | B | 0.0000 | |
| 190 | T | B | -1.6597 | |
| 191 | R | B | -2.1852 | |
| 192 | P | B | 0.0000 | |
| 193 | V | B | -0.7552 | |
| 194 | L | B | 0.0000 | |
| 195 | R | B | -1.7743 | |
| 196 | A | B | -1.0416 | |
| 197 | S | B | -0.7627 | |
| 198 | S | B | -0.5868 | |
| 199 | F | B | -0.0510 | |
| 200 | Q | B | -0.8707 | |
| 201 | P | B | 0.0000 | |
| 202 | I | B | 0.0312 | |
| 203 | S | B | -0.4394 | |
| 204 | G | B | -0.5931 | |
| 205 | N | B | -1.2638 | |
| 206 | P | B | -1.0781 | |
| 207 | V | B | 0.0000 | |
| 208 | T | B | -1.1210 | |
| 209 | L | B | 0.0000 | |
| 210 | T | B | -1.3790 | |
| 211 | C | B | 0.0000 | |
| 212 | E | B | -1.5919 | |
| 213 | T | B | -1.1786 | |
| 214 | Q | B | -1.3346 | |
| 215 | L | B | -0.9478 | |
| 216 | S | B | -0.8960 | |
| 217 | L | B | -0.6309 | |
| 218 | E | B | -0.8860 | |
| 219 | R | B | -1.3415 | |
| 220 | S | B | -1.0923 | |
| 221 | D | B | -1.9202 | |
| 222 | V | B | -0.7222 | |
| 223 | P | B | -0.2463 | |
| 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 | -0.9768 | |
| 231 | D | B | -1.7042 | |
| 232 | D | B | -2.2010 | |
| 233 | Q | B | -1.6380 | |
| 234 | T | B | 0.0000 | |
| 235 | L | B | 0.0000 | |
| 236 | G | B | 0.0000 | |
| 237 | L | B | 0.0000 | |
| 238 | G | B | 0.0000 | |
| 239 | W | B | 0.0000 | |
| 240 | S | B | -0.0822 | |
| 241 | L | B | 0.4625 | |
| 242 | S | B | -0.2333 | |
| 243 | P | B | -0.6019 | |
| 244 | N | B | -1.5341 | |
| 245 | F | B | -1.3421 | |
| 246 | Q | B | -1.7208 | |
| 247 | I | B | 0.0000 | |
| 248 | T | B | -1.4360 | |
| 249 | A | B | 0.0000 | |
| 250 | M | B | 0.0000 | |
| 251 | W | B | -0.8592 | |
| 252 | S | B | -0.7114 | |
| 253 | K | B | -1.7163 | |
| 254 | D | B | 0.0000 | |
| 255 | S | B | -0.6798 | |
| 256 | G | B | 0.0000 | |
| 257 | F | B | 0.2837 | |
| 258 | Y | B | 0.0000 | |
| 259 | W | B | 0.0000 | |
| 260 | C | B | 0.0000 | |
| 261 | K | B | -0.3917 | |
| 262 | A | B | 0.0000 | |
| 263 | A | B | 0.0000 | |
| 264 | T | B | 0.0000 | |
| 265 | M | B | 0.4579 | |
| 266 | P | B | 0.1130 | |
| 267 | Y | B | 0.4778 | |
| 268 | S | B | -0.0532 | |
| 269 | V | B | 0.0000 | |
| 270 | I | B | 0.6992 | |
| 271 | S | B | -0.4584 | |
| 272 | D | B | -0.7834 | |
| 273 | S | B | 0.0000 | |
| 274 | P | B | -0.9295 | |
| 275 | R | B | -1.0563 | |
| 276 | S | B | -0.1501 | |
| 277 | W | B | 0.7636 | |
| 278 | I | B | 0.0000 | |
| 279 | Q | B | -0.7306 | |
| 280 | V | B | 0.0000 | |
| 281 | Q | B | -0.2823 | |
| 282 | I | B | 0.4748 | |
| 283 | P | B | -0.0812 | |
| 284 | A | B | 0.0000 | |
| 285 | S | B | -0.9816 | |
| 286 | H | B | -1.4604 | |
| 287 | P | B | 0.0000 | |
| 288 | V | B | 0.9650 | |
| 289 | L | B | 0.5383 | |
| 290 | T | B | 0.0060 | |
| 291 | L | B | -0.7378 | |
| 292 | S | B | -1.4402 | |
| 293 | P | B | -1.6640 | |
| 294 | E | B | -2.5252 | |
| 295 | K | B | -2.2226 | |
| 296 | A | B | -0.8057 | |
| 297 | L | B | 0.8582 | |
| 298 | N | B | 0.0282 | |
| 299 | F | B | 0.4672 | |
| 300 | E | B | -0.5668 | |
| 301 | G | B | -0.8726 | |
| 302 | T | B | -0.8145 | |
| 303 | K | B | -1.9590 | |
| 304 | V | B | 0.0000 | |
| 305 | T | B | -0.7991 | |
| 306 | L | B | 0.0000 | |
| 307 | H | B | 0.0926 | |
| 308 | C | B | 0.0000 | |
| 309 | E | B | -0.7123 | |
| 310 | T | B | 0.0000 | |
| 311 | Q | B | -1.6707 | |
| 312 | E | B | -1.4364 | |
| 313 | D | B | -1.2883 | |
| 314 | S | B | -0.5336 | |
| 315 | L | B | 0.3794 | |
| 316 | R | B | -0.9496 | |
| 317 | T | B | 0.0000 | |
| 318 | L | B | 0.4997 | |
| 319 | Y | B | 0.0000 | |
| 320 | R | B | -1.9482 | |
| 321 | F | B | 0.0000 | |
| 322 | Y | B | -0.5323 | |
| 323 | H | B | -0.6213 | |
| 324 | E | B | -1.7120 | |
| 325 | G | B | -0.4525 | |
| 326 | V | B | 0.8409 | |
| 327 | P | B | -0.3711 | |
| 328 | L | B | -1.3263 | |
| 329 | R | B | -2.5063 | |
| 330 | H | B | -2.4184 | |
| 331 | K | B | -2.4147 | |
| 332 | S | B | -0.9329 | |
| 333 | V | B | 0.5786 | |
| 334 | R | B | -0.3236 | |
| 335 | C | B | -0.7820 | |
| 336 | E | B | -1.9431 | |
| 337 | R | B | -1.8969 | |
| 338 | G | B | 0.0000 | |
| 339 | A | B | 0.0000 | |
| 340 | S | B | -0.3598 | |
| 341 | I | B | 0.0000 | |
| 342 | S | B | -0.7812 | |
| 343 | F | B | 0.0000 | |
| 344 | S | B | -1.1034 | |
| 345 | L | B | 0.0000 | |
| 346 | T | B | -1.1148 | |
| 347 | T | B | -1.0817 | |
| 348 | E | B | -1.9407 | |
| 349 | N | B | -1.5367 | |
| 350 | S | B | -1.2897 | |
| 351 | G | B | -1.2792 | |
| 352 | N | B | -1.5327 | |
| 353 | Y | B | 0.0000 | |
| 354 | Y | B | -0.4065 | |
| 355 | C | B | 0.0000 | |
| 356 | T | B | 0.0000 | |
| 357 | A | B | 0.0000 | |
| 358 | D | B | -0.9031 | |
| 359 | N | B | -0.5678 | |
| 360 | G | B | -0.6669 | |
| 361 | L | B | -0.0128 | |
| 362 | G | B | -0.5632 | |
| 363 | A | B | -0.7825 | |
| 364 | K | B | -1.1618 | |
| 365 | P | B | -1.0685 | |
| 366 | S | B | -0.6751 | |
| 367 | K | B | -1.4014 | |
| 368 | A | B | -0.7580 | |
| 369 | V | B | -0.1104 | |
| 370 | S | B | -0.7212 | |
| 371 | L | B | 0.0000 | |
| 372 | S | B | -0.0943 | |
| 373 | V | B | -0.0704 | |
| 374 | T | B | 0.3496 | |
| 375 | V | B | 0.0000 | |
| 376 | P | B | -0.5306 | |
| 377 | V | B | 0.0000 | |
| 378 | S | B | -1.6121 | |
| 379 | H | B | -2.0720 | |
| 380 | P | B | 0.0000 | |
| 381 | V | B | 0.3819 | |
| 382 | L | B | 0.0000 | |
| 383 | N | B | -0.4153 | |
| 384 | L | B | 0.0273 | |
| 385 | S | B | -0.8828 | |
| 386 | S | B | -1.2111 | |
| 387 | P | B | -1.4114 | |
| 388 | E | B | -1.9051 | |
| 389 | D | B | -1.8714 | |
| 390 | L | B | -0.3226 | |
| 391 | I | B | -0.2164 | |
| 392 | F | B | 0.0142 | |
| 393 | E | B | -0.6822 | |
| 394 | G | B | -0.6533 | |
| 395 | A | B | 0.0000 | |
| 396 | K | B | -1.9780 | |
| 397 | V | B | 0.0000 | |
| 398 | T | B | -0.6195 | |
| 399 | L | B | 0.0000 | |
| 400 | H | B | -0.3161 | |
| 401 | C | B | 0.0000 | |
| 402 | E | B | -0.8498 | |
| 403 | A | B | -1.4838 | |
| 404 | Q | B | -2.0152 | |
| 405 | R | B | -2.2130 | |
| 406 | G | B | -1.0792 | |
| 407 | S | B | -0.3285 | |
| 408 | L | B | 0.0859 | |
| 409 | P | B | -0.2920 | |
| 410 | I | B | 0.0000 | |
| 411 | L | B | -0.4601 | |
| 412 | Y | B | 0.0000 | |
| 413 | Q | B | -1.3542 | |
| 414 | F | B | 0.0000 | |
| 415 | H | B | -0.8977 | |
| 416 | H | B | -1.4069 | |
| 417 | E | B | -2.3090 | |
| 418 | G | B | -1.3672 | |
| 419 | A | B | -0.6633 | |
| 420 | A | B | -0.4766 | |
| 421 | L | B | -0.3033 | |
| 422 | E | B | -1.5824 | |
| 423 | R | B | -2.5273 | |
| 424 | R | B | -2.2501 | |
| 425 | S | B | -1.2064 | |
| 426 | A | B | 0.0000 | |
| 427 | N | B | -1.3029 | |
| 428 | S | B | -0.7634 | |
| 429 | A | B | -0.8655 | |
| 430 | G | B | -0.9006 | |
| 431 | G | B | -0.7054 | |
| 432 | V | B | -0.7294 | |
| 433 | A | B | -0.6703 | |
| 434 | I | B | 0.0000 | |
| 435 | S | B | -0.4782 | |
| 436 | F | B | -0.3818 | |
| 437 | S | B | -0.8601 | |
| 438 | L | B | 0.0000 | |
| 439 | T | B | -0.9868 | |
| 440 | A | B | -1.1616 | |
| 441 | E | B | -2.0579 | |
| 442 | H | B | -1.5760 | |
| 443 | S | B | -1.3347 | |
| 444 | G | B | -1.3552 | |
| 445 | N | B | -1.6147 | |
| 446 | Y | B | 0.0000 | |
| 447 | Y | B | -0.9817 | |
| 448 | C | B | 0.0000 | |
| 449 | T | B | -1.3341 | |
| 450 | A | B | 0.0000 | |
| 451 | D | B | -0.8207 | |
| 452 | N | B | -0.2856 | |
| 453 | G | B | -0.3998 | |
| 454 | F | B | 0.1437 | |
| 455 | G | B | -0.5577 | |
| 456 | P | B | -1.1378 | |
| 457 | Q | B | -1.7173 | |
| 458 | R | B | -2.3810 | |
| 459 | S | B | 0.0000 | |
| 460 | K | B | -1.8737 | |
| 461 | A | B | -1.1288 | |
| 462 | V | B | -0.1634 | |
| 463 | S | B | -0.6955 | |
| 464 | L | B | 0.0000 | |
| 465 | S | B | -0.4618 | |
| 466 | V | B | 0.0000 | |
| 467 | T | B | 0.1801 | |
| 468 | V | B | -0.1068 | |
| 469 | P | B | -0.4807 | |
| 470 | V | B | 0.0000 | |
| 471 | S | B | -1.5407 | |
| 472 | H | B | -2.2741 | |
| 473 | P | B | 0.0000 | |
| 474 | V | B | -0.7957 | |
| 475 | L | B | 0.0000 | |
| 476 | T | B | 0.0048 | |
| 477 | L | B | 0.2483 | |
| 478 | S | B | -0.2296 | |
| 479 | S | B | -0.4391 | |
| 480 | A | B | -0.6328 | |
| 481 | E | B | -1.1930 | |
| 482 | A | B | -0.2998 | |
| 483 | L | B | 0.5670 | |
| 484 | T | B | 0.4686 | |
| 485 | F | B | 0.2012 | |
| 486 | E | B | -0.8471 | |
| 487 | G | B | -0.8672 | |
| 488 | A | B | 0.0000 | |
| 489 | T | B | -0.5084 | |
| 490 | V | B | 0.0000 | |
| 491 | T | B | -0.0174 | |
| 492 | L | B | 0.0000 | |
| 493 | H | B | -0.7643 | |
| 494 | C | B | 0.0000 | |
| 495 | E | B | -2.3272 | |
| 496 | V | B | 0.0000 | |
| 497 | Q | B | -2.1702 | |
| 498 | R | B | -1.7788 | |
| 499 | G | B | -1.0424 | |
| 500 | S | B | -0.6307 | |
| 501 | P | B | -0.9441 | |
| 502 | Q | B | -1.4525 | |
| 503 | I | B | 0.0000 | |
| 504 | L | B | -0.2561 | |
| 505 | Y | B | 0.0000 | |
| 506 | Q | B | -0.3167 | |
| 507 | F | B | 0.0000 | |
| 508 | Y | B | -0.6106 | |
| 509 | H | B | 0.0000 | |
| 510 | E | B | -2.5478 | |
| 511 | D | B | -2.3702 | |
| 512 | M | B | -0.6341 | |
| 513 | P | B | -0.3387 | |
| 514 | L | B | 0.2492 | |
| 515 | W | B | 0.5311 | |
| 516 | S | B | 0.0390 | |
| 517 | S | B | -0.1516 | |
| 518 | S | B | -0.5681 | |
| 519 | T | B | -0.7060 | |
| 520 | P | B | -0.7779 | |
| 521 | S | B | -0.8337 | |
| 522 | V | B | -0.7893 | |
| 523 | G | B | -1.6082 | |
| 524 | R | B | -2.4624 | |
| 525 | V | B | 0.0000 | |
| 526 | S | B | -0.6157 | |
| 527 | F | B | 0.2721 | |
| 528 | S | B | 0.0056 | |
| 529 | F | B | 0.0125 | |
| 530 | S | B | -0.3942 | |
| 531 | L | B | 0.0000 | |
| 532 | T | B | -1.3974 | |
| 533 | E | B | -1.9936 | |
| 534 | G | B | -1.3248 | |
| 535 | H | B | -1.0700 | |
| 536 | S | B | -0.5284 | |
| 537 | G | B | -0.5585 | |
| 538 | N | B | -1.0725 | |
| 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 | -1.0723 | |
| 545 | N | B | -0.8114 | |
| 546 | G | B | -0.5150 | |
| 547 | F | B | 0.1800 | |
| 548 | G | B | -0.5762 | |
| 549 | P | B | -1.2342 | |
| 550 | Q | B | -1.8826 | |
| 551 | R | B | -2.5147 | |
| 552 | S | B | 0.0000 | |
| 553 | E | B | -1.4491 | |
| 554 | V | B | -0.0578 | |
| 555 | V | B | 0.3661 | |
| 556 | S | B | 0.2977 | |
| 557 | L | B | 0.0000 | |
| 558 | F | B | 1.5362 | |
| 559 | V | B | 0.0000 | |
| 560 | T | B | 0.2386 | |
| 561 | V | B | 0.0000 | |
| 562 | P | B | -0.4520 | |
| 563 | V | B | 0.0000 | |
| 564 | S | B | -1.3384 | |
| 565 | R | B | -2.0476 | |
| 566 | P | B | 0.0000 | |
| 567 | I | B | -0.0391 | |
| 568 | L | B | 0.0000 | |
| 569 | T | B | -0.4494 | |
| 570 | L | B | -0.8382 | |
| 571 | R | B | -2.1195 | |
| 572 | V | B | -0.9993 | |
| 573 | P | B | -1.1274 | |
| 574 | R | B | -1.7743 | |
| 575 | A | B | -1.0790 | |
| 576 | Q | B | -0.8939 | |
| 577 | A | B | 0.0000 | |
| 578 | V | B | 0.0000 | |
| 579 | V | B | 0.4708 | |
| 580 | G | B | 0.1636 | |
| 581 | D | B | 0.0000 | |
| 582 | L | B | 0.1840 | |
| 583 | L | B | 0.0000 | |
| 584 | E | B | -1.4820 | |
| 585 | L | B | 0.0000 | |
| 586 | H | B | -1.2155 | |
| 587 | C | B | 0.0000 | |
| 588 | E | B | -1.9306 | |
| 589 | A | B | 0.0000 | |
| 590 | P | B | -1.4730 | |
| 591 | R | B | -1.9204 | |
| 592 | G | B | -1.3893 | |
| 593 | S | B | -0.8758 | |
| 594 | P | B | -0.8382 | |
| 595 | P | B | -0.7004 | |
| 596 | I | B | 0.0000 | |
| 597 | L | B | -0.1005 | |
| 598 | Y | B | 0.0000 | |
| 599 | W | B | 0.2833 | |
| 600 | F | B | 0.0000 | |
| 601 | Y | B | -0.0559 | |
| 602 | H | B | -0.7836 | |
| 603 | E | B | -2.1814 | |
| 604 | D | B | -1.7329 | |
| 605 | V | B | 0.5056 | |
| 606 | T | B | 0.4230 | |
| 607 | L | B | 0.3825 | |
| 608 | G | B | 0.2808 | |
| 609 | S | B | 0.1570 | |
| 610 | S | B | -0.1907 | |
| 611 | S | B | -0.5209 | |
| 612 | A | B | 0.0000 | |
| 613 | P | B | -0.5907 | |
| 614 | S | B | -0.8099 | |
| 615 | G | B | -1.3182 | |
| 616 | G | B | -1.8838 | |
| 617 | E | B | -2.3332 | |
| 618 | A | B | 0.0000 | |
| 619 | S | B | -1.0412 | |
| 620 | F | B | -0.5005 | |
| 621 | N | B | -1.3181 | |
| 622 | L | B | -0.3465 | |
| 623 | S | B | -0.1135 | |
| 624 | L | B | 0.0000 | |
| 625 | T | B | -0.3415 | |
| 626 | A | B | -0.6406 | |
| 627 | E | B | -1.8702 | |
| 628 | H | B | -1.2347 | |
| 629 | S | B | -1.0171 | |
| 630 | G | B | -1.1248 | |
| 631 | N | B | -1.4762 | |
| 632 | Y | B | 0.0000 | |
| 633 | S | B | -0.9443 | |
| 634 | C | B | 0.0000 | |
| 635 | E | B | -0.9277 | |
| 636 | A | B | 0.0000 | |
| 637 | N | B | -0.5788 | |
| 638 | N | B | -0.4037 | |
| 639 | G | B | -0.2513 | |
| 640 | L | B | 0.4943 | |
| 641 | V | B | 0.3845 | |
| 642 | A | B | -0.4073 | |
| 643 | Q | B | -1.4301 | |
| 644 | H | B | -1.8351 | |
| 645 | S | B | -1.5382 | |
| 646 | D | B | -1.9305 | |
| 647 | T | B | -1.0111 | |
| 648 | I | B | 0.0348 | |
| 649 | S | B | -0.3572 | |
| 650 | L | B | -0.1048 | |
| 651 | S | B | -0.4475 | |
| 652 | V | B | 0.0000 | |
| 653 | I | B | 0.5262 | |
| 654 | V | B | 0.2941 | |
| 655 | P | B | -0.7791 | |
| 656 | V | B | 0.0000 | |
| 657 | S | B | -1.5528 | |
| 658 | R | B | -2.2831 | |
| 659 | P | B | 0.0000 | |
| 660 | I | B | 0.5208 | |
| 661 | L | B | 0.0000 | |
| 662 | T | B | -0.1997 | |
| 663 | F | B | -0.7969 | |
| 664 | R | B | -2.2037 | |
| 665 | A | B | -1.5114 | |
| 666 | P | B | -1.4956 | |
| 667 | R | B | -2.3600 | |
| 668 | A | B | -1.5435 | |
| 669 | Q | B | -1.6649 | |
| 670 | A | B | 0.0000 | |
| 671 | V | B | 0.0000 | |
| 672 | V | B | 0.2083 | |
| 673 | G | B | 0.0689 | |
| 674 | D | B | 0.0000 | |
| 675 | L | B | 0.1231 | |
| 676 | L | B | 0.0000 | |
| 677 | E | B | -1.3695 | |
| 678 | L | B | 0.0000 | |
| 679 | H | B | -0.7483 | |
| 680 | C | B | 0.0000 | |
| 681 | E | B | -0.7641 | |
| 682 | A | B | 0.0000 | |
| 683 | L | B | 0.1917 | |
| 684 | R | B | -1.5921 | |
| 685 | G | B | -0.9243 | |
| 686 | S | B | -0.5906 | |
| 687 | S | B | -0.8221 | |
| 688 | P | B | -0.7704 | |
| 689 | I | B | 0.0000 | |
| 690 | L | B | -0.3839 | |
| 691 | Y | B | 0.0000 | |
| 692 | W | B | -0.4159 | |
| 693 | F | B | 0.0000 | |
| 694 | Y | B | -0.2554 | |
| 695 | H | B | -0.4651 | |
| 696 | E | B | -1.7706 | |
| 697 | D | B | -1.6308 | |
| 698 | V | B | 0.3986 | |
| 699 | T | B | 0.0664 | |
| 700 | L | B | 0.0133 | |
| 701 | G | B | -0.2468 | |
| 702 | K | B | -1.2293 | |
| 703 | I | B | -0.2137 | |
| 704 | S | B | -0.4576 | |
| 705 | A | B | 0.0000 | |
| 706 | P | B | -0.5674 | |
| 707 | S | B | -0.6403 | |
| 708 | G | B | -0.8332 | |
| 709 | G | B | -0.8200 | |
| 710 | G | B | -0.3323 | |
| 711 | A | B | 0.0000 | |
| 712 | S | B | -0.8138 | |
| 713 | F | B | -0.5170 | |
| 714 | N | B | -1.2358 | |
| 715 | L | B | -0.3403 | |
| 716 | S | B | -0.1027 | |
| 717 | L | B | 0.0000 | |
| 718 | T | B | -0.5041 | |
| 719 | T | B | -1.1085 | |
| 720 | E | B | -2.0807 | |
| 721 | H | B | -1.4476 | |
| 722 | S | B | -1.4306 | |
| 723 | G | B | -0.7905 | |
| 724 | I | B | -0.0373 | |
| 725 | Y | B | 0.0000 | |
| 726 | S | B | 0.0000 | |
| 727 | C | B | 0.0000 | |
| 728 | E | B | -1.2498 | |
| 729 | A | B | 0.0000 | |
| 730 | D | B | -1.4601 | |
| 731 | N | B | -0.9306 | |
| 732 | G | B | -0.9434 | |
| 733 | L | B | -0.8987 | |
| 734 | E | B | -2.0753 | |
| 735 | A | B | -1.7246 | |
| 736 | Q | B | -2.1021 | |
| 737 | R | B | -1.7111 | |
| 738 | S | B | 0.0000 | |
| 739 | E | B | -0.4860 | |
| 740 | M | B | 0.6372 | |
| 741 | V | B | 0.7888 | |
| 742 | T | B | -0.0219 | |
| 743 | L | B | 0.0000 | |
| 744 | K | B | -1.9665 | |
| 745 | V | B | 0.0000 | |
| 746 | A | B | -0.4469 | |
| 747 | V | B | -0.2477 | |
| 748 | P | B | -0.6284 | |
| 749 | V | B | 0.0000 | |
| 750 | S | B | -1.3267 | |
| 751 | R | B | -2.3427 | |
| 752 | P | B | 0.0000 | |
| 753 | V | B | 0.7189 | |
| 754 | L | B | 0.0000 | |
| 755 | T | B | -0.3277 | |
| 756 | L | B | -0.8918 | |
| 757 | R | B | -1.9872 | |
| 758 | A | B | -1.1713 | |
| 759 | P | B | -0.7882 | |
| 760 | G | B | -1.4374 | |
| 761 | T | B | -1.3533 | |
| 762 | H | B | -0.4744 | |
| 763 | A | B | 0.0000 | |
| 764 | A | B | 0.9037 | |
| 765 | V | B | 1.3998 | |
| 766 | G | B | 0.5333 | |
| 767 | D | B | 0.4167 | |
| 768 | L | B | 0.6774 | |
| 769 | L | B | 0.0000 | |
| 770 | E | B | -1.3404 | |
| 771 | L | B | 0.0000 | |
| 772 | H | B | -0.7470 | |
| 773 | C | B | 0.0000 | |
| 774 | E | B | -0.3547 | |
| 775 | A | B | 0.0000 | |
| 776 | L | B | 0.3909 | |
| 777 | R | B | -1.4418 | |
| 778 | G | B | -0.7479 | |
| 779 | S | B | -0.3221 | |
| 780 | P | B | 0.0568 | |
| 781 | L | B | 0.9790 | |
| 782 | I | B | 0.0000 | |
| 783 | L | B | -0.4473 | |
| 784 | Y | B | 0.0000 | |
| 785 | R | B | -1.7401 | |
| 786 | F | B | 0.0000 | |
| 787 | F | B | 0.0000 | |
| 788 | H | B | -1.0875 | |
| 789 | E | B | -2.3998 | |
| 790 | D | B | -1.9032 | |
| 791 | V | B | 0.3523 | |
| 792 | T | B | -0.1471 | |
| 793 | L | B | -0.1688 | |
| 794 | G | B | -0.9217 | |
| 795 | N | B | -2.1742 | |
| 796 | R | B | -1.9573 | |
| 797 | S | B | -0.8487 | |
| 798 | S | B | -0.2858 | |
| 799 | P | B | 0.0669 | |
| 800 | S | B | -0.4763 | |
| 801 | G | B | -0.7481 | |
| 802 | G | B | -0.4034 | |
| 803 | A | B | 0.0000 | |
| 804 | S | B | -1.1318 | |
| 805 | L | B | 0.0000 | |
| 806 | N | B | -1.2507 | |
| 807 | L | B | -0.2548 | |
| 808 | S | B | 0.1959 | |
| 809 | L | B | 0.0000 | |
| 810 | T | B | -0.0341 | |
| 811 | A | B | -0.3353 | |
| 812 | E | B | -1.6680 | |
| 813 | H | B | -0.9068 | |
| 814 | S | B | -0.3720 | |
| 815 | G | B | -0.7566 | |
| 816 | N | B | -1.4614 | |
| 817 | Y | B | 0.0000 | |
| 818 | S | B | 0.0000 | |
| 819 | C | B | 0.0000 | |
| 820 | E | B | -1.5757 | |
| 821 | A | B | 0.0000 | |
| 822 | D | B | -1.0445 | |
| 823 | N | B | -0.2378 | |
| 824 | G | B | -0.3260 | |
| 825 | L | B | -0.2005 | |
| 826 | G | B | -0.5415 | |
| 827 | A | B | -1.1704 | |
| 828 | Q | B | -1.9898 | |
| 829 | R | B | -2.0194 | |
| 830 | S | B | 0.0000 | |
| 831 | E | B | -1.9747 | |
| 832 | T | B | -0.9923 | |
| 833 | V | B | 0.0897 | |
| 834 | T | B | 0.0890 | |
| 835 | L | B | 0.5970 | |
| 836 | Y | B | 1.1175 | |
| 837 | I | B | 0.8091 | |
| 838 | T | B | 0.7570 | |
| 839 | G | B | 0.7068 | |
| 840 | L | B | 1.3866 | |
| 841 | T | B | 0.1750 | |
| 842 | A | B | -0.8183 | |
| 843 | N | B | -2.3729 | |
| 844 | R | B | -2.7733 | |
| 845 | S | B | -1.6461 | |
| 846 | G | B | -0.6829 | |
| 847 | P | B | 0.4114 | |
| 848 | F | B | 1.7436 | |
| 849 | A | B | 0.9878 | |
| 850 | T | B | 0.5025 | |
| 851 | G | B | 0.3860 | |
| 852 | V | B | 1.4615 | |
| 853 | A | B | 0.4566 | |
| 854 | G | B | 0.0346 | |
| 855 | G | B | 0.5165 | |
| 856 | L | B | 1.8829 | |
| 857 | L | B | 2.4754 | |
| 858 | S | B | 1.9034 | |
| 859 | I | B | 2.1557 | |
| 860 | A | B | 1.1806 | |
| 861 | G | B | 0.8005 | |
| 862 | L | B | 1.3618 | |
| 863 | A | B | 0.7204 | |
| 864 | A | B | 0.2267 | |
| 865 | G | B | -0.0435 | |
| 866 | A | B | 0.8812 | |
| 867 | L | B | 2.5482 | |
| 868 | L | B | 3.4398 | |
| 869 | L | B | 3.5233 | |
| 870 | Y | B | 3.0307 | |
| 871 | C | B | 2.7021 | |
| 872 | W | B | 2.5772 | |
| 873 | L | B | 1.7415 | |
| 874 | S | B | -0.4993 | |
| 875 | R | B | -2.4210 | |
| 876 | K | B | -2.6952 | |
| 877 | A | B | -1.7109 | |
| 878 | G | B | -1.9708 | |
| 879 | R | B | -3.0310 | |
| 880 | K | B | -2.9160 | |
| 881 | P | B | -1.4937 | |
| 882 | A | B | -0.8417 | |
| 883 | S | B | -1.1285 | |
| 884 | D | B | -2.0037 | |
| 885 | P | B | -1.5822 | |
| 886 | A | B | -1.3805 | |
| 887 | R | B | -2.0317 | |
| 888 | S | B | -1.3445 | |
| 889 | P | B | -1.2532 | |
| 890 | S | B | -1.4138 | |
| 891 | D | B | -2.4296 | |
| 892 | S | B | -2.1470 | |
| 893 | D | B | -2.6318 | |
| 894 | S | B | -2.1164 | |
| 895 | Q | B | -2.7113 | |
| 896 | E | B | -2.6480 | |
| 897 | P | B | -1.1754 | |
| 898 | T | B | -0.2878 | |
| 899 | Y | B | 0.6054 | |
| 900 | H | B | -0.6489 | |
| 901 | N | B | -0.6355 | |
| 902 | V | B | 0.9699 | |
| 903 | P | B | 0.4603 | |
| 904 | A | B | 0.1814 | |
| 905 | W | B | -0.1052 | |
| 906 | E | B | -1.7489 | |
| 907 | E | B | -1.9862 | |
| 908 | L | B | -0.0905 | |
| 909 | Q | B | -0.5475 | |
| 910 | P | B | 0.4850 | |
| 911 | V | B | 1.9727 | |
| 912 | Y | B | 1.6181 | |
| 913 | T | B | 0.2844 | |
| 914 | N | B | -1.1176 | |
| 915 | A | B | -1.3098 | |
| 916 | N | B | -2.2523 | |
| 917 | P | B | -2.2804 | |
| 918 | R | B | -3.0649 | |
| 919 | G | B | -2.6081 | |
| 920 | E | B | -2.4443 | |
| 921 | N | B | -0.9847 | |
| 922 | V | B | 1.8034 | |
| 923 | V | B | 2.4443 | |
| 924 | Y | B | 2.1377 | |
| 925 | S | B | 0.4660 | |
| 926 | E | B | -0.7920 | |
| 927 | V | B | 0.8872 | |
| 928 | R | B | -0.1244 | |
| 929 | I | B | 1.8071 | |
| 930 | I | B | 1.4368 | |
| 931 | Q | B | -1.4380 | |
| 932 | E | B | -3.1553 | |
| 933 | K | B | -4.0592 | |
| 934 | K | B | -4.3003 | |
| 935 | K | B | -3.4796 | |
| 936 | H | B | -2.0894 | |
| 937 | A | B | -0.1993 | |
| 938 | V | B | 1.1898 | |
| 939 | A | B | 0.3379 | |
| 940 | S | B | -0.7052 | |
| 941 | D | B | -2.1690 | |
| 942 | P | B | -2.2749 | |
| 943 | R | B | -2.4268 | |
| 944 | H | B | -1.5589 | |
| 945 | L | B | -0.5112 | |
| 946 | R | B | -2.3792 | |
| 947 | N | B | -2.8488 | |
| 948 | K | B | -3.0554 | |
| 949 | G | B | -1.7143 | |
| 950 | S | B | -0.4007 | |
| 951 | P | B | 1.0049 | |
| 952 | I | B | 3.0659 | |
| 953 | I | B | 3.2810 | |
| 954 | Y | B | 2.4229 | |
| 955 | S | B | 0.5368 | |
| 956 | E | B | -0.7752 | |
| 957 | V | B | 0.6426 | |
| 958 | K | B | -0.5110 | |
| 959 | V | B | 1.1742 | |
| 960 | A | B | 0.5257 | |
| 961 | S | B | 0.1529 | |
| 962 | T | B | 0.3163 | |
| 963 | P | B | 0.4166 | |
| 964 | V | B | 1.3618 | |
| 965 | S | B | 0.4467 | |
| 966 | G | B | 0.3519 | |
| 967 | S | B | 1.1647 | |
| 968 | L | B | 2.6651 | |
| 969 | F | B | 3.3118 | |
| 970 | L | B | 2.8088 | |
| 971 | A | B | 1.3939 | |
| 972 | S | B | 0.3500 | |
| 973 | S | B | -0.2515 | |
| 974 | A | B | -0.4452 | |
| 975 | P | B | -1.1989 | |
| 976 | H | B | -2.0153 | |
| 977 | R | B | -2.3808 |
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 | -0.4187 | 7.0162 | View | CSV | PDB |
| 4.5 | -0.4777 | 7.0162 | View | CSV | PDB |
| 5.0 | -0.5509 | 7.0162 | View | CSV | PDB |
| 5.5 | -0.6234 | 7.0162 | View | CSV | PDB |
| 6.0 | -0.6793 | 7.0162 | View | CSV | PDB |
| 6.5 | -0.7076 | 7.0162 | View | CSV | PDB |
| 7.0 | -0.709 | 7.0162 | View | CSV | PDB |
| 7.5 | -0.6939 | 7.0162 | View | CSV | PDB |
| 8.0 | -0.6711 | 7.0162 | View | CSV | PDB |
| 8.5 | -0.6437 | 7.0162 | View | CSV | PDB |
| 9.0 | -0.6115 | 7.0162 | 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