| Chain sequence(s) |
A: MSSDASTYRLEDVLSSFYRVEKIKKINYHQYISKAQNDQWSIQMEFMLRKQDPKTLVALLSRDLWCFSINDDPVPTPPAIEHKPVSPDKIGTFTADYSKPNLPPHYALFLKALRRKIYINLALGSHNKLIQFGNACISLSGVPNYLVQLEPHLFVNGDLTVSLCAKNMGLVPMKEENLEESFLSKHALYLAPSGIRMHLAPASKQGYLITPPKHTELLLTTLSVSHGINLQNKKNLKWVAVVPDLGHLNGHTPTIASYLTPLLEAKKLVWPLHLIFAQPVADIENSTSGDPSEFHCLQDALDAIDDFIQLKQTAAYRTPGSSGVLSSNIAGTNPLSSDGAYTEQFQHYKNNSISSQPASYHSVQETNKISPKDFSPNFTGIDKLMLSPSDQFAPAFLNTPNNNINENELFNDRKQTTVSNDLENSPLKTELEANGRSLEKVNNSVSKTGSVDTLHNKEGTLEQREQNENLPSDKSDSMVDKELFGEDEDEDLFGDSNKSNSTNESNKSISDEITEDMFEMSDEEENNNNKSINKNNKEMHTDLGKDIPFFPSSEKPNIRTMSGTTKRLNGKRKYLDIPIDEMTLPTSPLYMDPGAPLPVETPRDRRKSVFAPLNFNPIIENNVDNKYKSGGKFSFSPLQKEEALNFDISMADLSSSEEEEDEEENGSSDEDLKSLNVRDDMKPSDNISTNTNIHEPQYINYSSIPSLQDSIIKQENFNSVNDANITSNKEGFNSIWKIPQNDIPQTESPLKTVDSSIQPIESNIKMTLEDNNVTSNPSEFTPNMVNSEISNLPKDKSGIPEFTPADPNLSFESSSSLPFLLRHMPLASIPDIFITPTPVVTISEKEQDILDLIAEQVVTDYNILGNLGIPKIAYRGVKDCQEGLITTTMLQLFSTFDRLNGNDTISKFYNMKQPYVFVKKHHELIKVKHDSQPFIKFLNFRPPNGIKNFKSLLLSSSFKEDCLSFAPTLSQTYINQELGFCELLKLTNEDPPGLMYLKAFDKNKLLLLAAQIVSYCSNNKNSIKNVPPILIILPLDNATLTELVDKANIFQVIKNEVCAKMPNIELYLKVIPMDFIRNVLVTVDQYVNVAISIYNMLPPKSVKFTHIAHTLPEKVNFRTMQQQQMQQQQQQQQQQQNNSTGSSSIIYYDSYIHLAYSRSVDKEWVFAALSDSYGQGSMTKTWYVGNSRGKFDDACNQIWNIALNLASKKFGKICLILTRLNGILPDDELMNWRRLSGRNIHLAVVCVDDNSKISFIDEDKLYPSFKPIYKDTRFGGRMDMTRLYDYEIRDIDQDIHGIVFQHPFPLAHSQHRCAIRSGALIKFKKCDGDTVWDKFAVNLLNCPHSDSTQLLETILEEFRNLAALNVWYGLSDGEDGHIPWHILAVKKMMNTLVHTRVKIANTSAATVHTATSSSIILSDK
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage |
A: MSSDASTYRLEDVLSSFYRVEKIKKINYHQYISKAQNDQWSIQMEFMLRKQDPKTLVALLSRDLWCFSINDDPVPTPPAIEHKPVSPDKIGTFTADYSKPNLPPHYALFLKALRRKIYINLALGSHNKLIQFGNACISLSGVPNYLVQLEPHLFVNGDLTVSLCAKNMGLVPMKEENLEESFLSKHALYLAPSGIRMHLAPASKQGYLITPPKHTELLLTTLSVSHGINLQNKKNLKWVAVVPDLGHLNGHTPTIASYLTPLLEAKKLVWPLHLIFAQPVADIENSTSGDPSEFHCLQDALDAIDDFIQLKQTAAY RTPGSSGVLSSNIAGTNPLSSDGAYTEQFQHYKNNSISSQPASYHSVQETNKISPKDFSPNFTGIDKLMLSPSDQFAPAFLNTPNNNINENELFNDRKQTTVSNDLENSPLKTELEANGRSLEKVNNSVSKTGSVDTLHNKEGTLEQREQNENLPSDKSDSMVDKELFGEDEDEDLFGDSNKSNSTNESNKSISDEITEDMFEMSDEEENNNNKSINKNNKEMHTDLGKDIPFFPSSEKPNIRTMSGTTKRLNGKRKYLDIPIDEMTLPTSPLYMDPGAPLPVETPRDRRKSVFAPLNFNPIIENNVDNKYKSGGKFSFSPLQKEEALNFDISMADLSSSEEEEDEEENGSSDEDLKSLNVRDDMKPSDNISTNTNIHEPQYINYSSIPSLQDSIIKQENFNSVNDANITSNKEGFNSIWKIPQNDIPQTESPLKTVDSSIQPIESNIKMTLEDNNVTSNPSEFTPNMVNSEISNLPKDKSGIPEFTPAD PNLSFESSSSLPFLLRHMPLASIPDIFITPTPVVTISEKEQDILDLIAEQVVTDYNILGNLGIPKIAYRGVKDCQEGLITTTMLQLFSTFDRLNGNDTISKFYNMKQPYVFVKKHHELIKVKHDSQPFIKFLNFRPPNGIKNFKSLLLSSSFKEDCLSFAPTLSQTYINQELGFCELLKLTNEDPPGLMYLKAFDKNKLLLLAAQIVSYCSNNKNSIKNVPPILIILPLDNATLTELVDKANIFQVIKNEVCAKMPNIELYLKVIPMDFIRNVLVTVDQYVNVAISIYNMLPPKSVKFTHIAHTLPEKVNFRTMQQQQMQQQQQQQQQQQNNSTGSSSIIYYDSYIHLAYSRSVDKEWVFAALSDSYGQGSMTKTWYVGNSRGKFDDACNQIWNIALNLASKKFGKICLILTRLNGILPDDELMNWRRLSGRNIHLAVVCVDDNSKISFIDEDKLYPSFKPIYKDTRFGGRMDMTRLYDYEIRDIDQDIHGIVFQHPFPLAHSQHRCAIRSGALIKFKKCDGDTVWDKFAVNLLNCPHSDSTQLLETILEEFRNLAALNVWYGLSDGEDGHIPWHILAVKKMMNTLVHTRVKIANTSAATVHTATSSSIILSDK(Red indicates removed residues) |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[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 A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB: Running AlphaCutter (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:53)
[INFO] FoldX: Starting FoldX energy minimization (00:00:53)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:22:13)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/693dcbffc939001/tmp/folded.pdb (00:22:13)
[INFO] Main: Simulation completed successfully. (00:29:19)
|
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 | M | A | 0.2635 | |
| 2 | S | A | -0.3304 | |
| 3 | S | A | -0.8208 | |
| 4 | D | A | -1.8269 | |
| 5 | A | A | -0.8502 | |
| 6 | S | A | -0.7820 | |
| 7 | T | A | -0.6205 | |
| 8 | Y | A | 0.0000 | |
| 9 | R | A | -2.5779 | |
| 10 | L | A | -2.2543 | |
| 11 | E | A | -3.2265 | |
| 12 | D | A | -2.8661 | |
| 13 | V | A | 0.0000 | |
| 14 | L | A | -1.2072 | |
| 15 | S | A | 0.0000 | |
| 16 | S | A | 0.0000 | |
| 17 | F | A | 0.0000 | |
| 18 | Y | A | 0.0000 | |
| 19 | R | A | -1.5355 | |
| 20 | V | A | 0.0000 | |
| 21 | E | A | -1.5781 | |
| 22 | K | A | -2.3663 | |
| 23 | I | A | 0.0000 | |
| 24 | K | A | -2.7555 | |
| 25 | K | A | -2.1415 | |
| 26 | I | A | 0.0000 | |
| 27 | N | A | -0.4699 | |
| 28 | Y | A | 0.2823 | |
| 29 | H | A | -0.0721 | |
| 30 | Q | A | -0.4276 | |
| 31 | Y | A | 0.0000 | |
| 32 | I | A | -1.2237 | |
| 33 | S | A | -1.8526 | |
| 34 | K | A | -2.0760 | |
| 35 | A | A | -1.7440 | |
| 36 | Q | A | -2.6166 | |
| 37 | N | A | -2.6800 | |
| 38 | D | A | -3.0141 | |
| 39 | Q | A | -2.0209 | |
| 40 | W | A | -1.3658 | |
| 41 | S | A | 0.0000 | |
| 42 | I | A | -0.2790 | |
| 43 | Q | A | -0.0436 | |
| 44 | M | A | 0.0000 | |
| 45 | E | A | 0.0000 | |
| 46 | F | A | -0.3562 | |
| 47 | M | A | -0.6439 | |
| 48 | L | A | 0.0000 | |
| 49 | R | A | 0.0000 | |
| 50 | K | A | -2.4335 | |
| 51 | Q | A | -2.4243 | |
| 52 | D | A | -2.1860 | |
| 53 | P | A | -1.4979 | |
| 54 | K | A | -1.7188 | |
| 55 | T | A | 0.0000 | |
| 56 | L | A | 0.0000 | |
| 57 | V | A | 0.0000 | |
| 58 | A | A | 0.0000 | |
| 59 | L | A | 0.0328 | |
| 60 | L | A | 0.0636 | |
| 61 | S | A | -0.9094 | |
| 62 | R | A | -2.3514 | |
| 63 | D | A | -1.1022 | |
| 64 | L | A | 0.0000 | |
| 65 | W | A | 0.0000 | |
| 66 | C | A | 0.0000 | |
| 67 | F | A | 0.0000 | |
| 68 | S | A | 0.0000 | |
| 69 | I | A | 0.0000 | |
| 70 | N | A | -2.5868 | |
| 71 | D | A | -3.1152 | |
| 72 | D | A | -2.7975 | |
| 73 | P | A | -1.4902 | |
| 74 | V | A | -0.4357 | |
| 75 | P | A | -0.3600 | |
| 76 | T | A | -0.1001 | |
| 77 | P | A | 0.0000 | |
| 78 | P | A | -0.3497 | |
| 79 | A | A | -0.7335 | |
| 80 | I | A | -0.5637 | |
| 81 | E | A | -2.3444 | |
| 82 | H | A | -2.3222 | |
| 83 | K | A | -2.4526 | |
| 84 | P | A | -1.2112 | |
| 85 | V | A | -0.5165 | |
| 86 | S | A | -0.6124 | |
| 87 | P | A | -0.7344 | |
| 88 | D | A | -1.9603 | |
| 89 | K | A | -0.9041 | |
| 90 | I | A | 1.0036 | |
| 91 | G | A | 0.6119 | |
| 92 | T | A | 0.1563 | |
| 93 | F | A | -0.5941 | |
| 94 | T | A | -1.2339 | |
| 95 | A | A | 0.0000 | |
| 96 | D | A | -1.8532 | |
| 97 | Y | A | -1.0741 | |
| 98 | S | A | -1.1205 | |
| 99 | K | A | -1.5082 | |
| 100 | P | A | -1.3671 | |
| 101 | N | A | -1.8726 | |
| 102 | L | A | 0.0000 | |
| 103 | P | A | -0.7853 | |
| 104 | P | A | -0.6276 | |
| 105 | H | A | -0.3303 | |
| 106 | Y | A | 0.0000 | |
| 107 | A | A | 0.0000 | |
| 108 | L | A | 0.0000 | |
| 109 | F | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | K | A | -0.8976 | |
| 112 | A | A | 0.0000 | |
| 113 | L | A | 0.0000 | |
| 114 | R | A | -0.6553 | |
| 115 | R | A | -0.6273 | |
| 116 | K | A | 0.0000 | |
| 117 | I | A | 0.0000 | |
| 118 | Y | A | 0.0000 | |
| 119 | I | A | 0.0000 | |
| 120 | N | A | 0.0000 | |
| 121 | L | A | 0.0000 | |
| 122 | A | A | 0.0000 | |
| 123 | L | A | -0.5004 | |
| 124 | G | A | -0.7839 | |
| 125 | S | A | 0.0000 | |
| 126 | H | A | -1.7307 | |
| 127 | N | A | -1.6405 | |
| 128 | K | A | -2.1694 | |
| 129 | L | A | -0.8670 | |
| 130 | I | A | 0.0000 | |
| 131 | Q | A | 0.0000 | |
| 132 | F | A | 0.0000 | |
| 133 | G | A | 0.0000 | |
| 134 | N | A | -0.5554 | |
| 135 | A | A | 0.0000 | |
| 136 | C | A | 0.0000 | |
| 137 | I | A | 0.0000 | |
| 138 | S | A | -0.3688 | |
| 139 | L | A | 0.0000 | |
| 140 | S | A | -0.7084 | |
| 141 | G | A | -0.0181 | |
| 142 | V | A | 1.3496 | |
| 143 | P | A | 0.4882 | |
| 144 | N | A | 0.0487 | |
| 145 | Y | A | -0.1097 | |
| 146 | L | A | 0.0000 | |
| 147 | V | A | 0.0056 | |
| 148 | Q | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | E | A | -0.5296 | |
| 151 | P | A | 0.0000 | |
| 152 | H | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | F | A | 0.0000 | |
| 155 | V | A | -0.5011 | |
| 156 | N | A | -1.5061 | |
| 157 | G | A | 0.0000 | |
| 158 | D | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | T | A | 0.0000 | |
| 161 | V | A | 0.0000 | |
| 162 | S | A | 0.0000 | |
| 163 | L | A | 0.0000 | |
| 164 | C | A | 0.0000 | |
| 165 | A | A | 0.0000 | |
| 166 | K | A | 0.0000 | |
| 167 | N | A | -1.0827 | |
| 168 | M | A | 0.0000 | |
| 169 | G | A | -0.1856 | |
| 170 | L | A | 0.0000 | |
| 171 | V | A | 0.3612 | |
| 172 | P | A | -0.1986 | |
| 173 | M | A | 0.0000 | |
| 174 | K | A | -3.2417 | |
| 175 | E | A | -3.7873 | |
| 176 | E | A | -3.5169 | |
| 177 | N | A | 0.0000 | |
| 178 | L | A | -2.4183 | |
| 179 | E | A | -3.3319 | |
| 180 | E | A | -2.8503 | |
| 181 | S | A | -1.8308 | |
| 182 | F | A | -1.6341 | |
| 183 | L | A | -1.3859 | |
| 184 | S | A | -1.5567 | |
| 185 | K | A | -1.9124 | |
| 186 | H | A | -0.6424 | |
| 187 | A | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | Y | A | 0.0000 | |
| 190 | L | A | 0.0000 | |
| 191 | A | A | 0.0000 | |
| 192 | P | A | 0.0000 | |
| 193 | S | A | 0.0000 | |
| 194 | G | A | 0.0000 | |
| 195 | I | A | 0.0000 | |
| 196 | R | A | 0.0000 | |
| 197 | M | A | 0.0000 | |
| 198 | H | A | -0.0665 | |
| 199 | L | A | 0.0118 | |
| 200 | A | A | -0.2723 | |
| 201 | P | A | -0.6895 | |
| 202 | A | A | -0.4736 | |
| 203 | S | A | -1.3809 | |
| 204 | K | A | -2.4629 | |
| 205 | Q | A | -2.3128 | |
| 206 | G | A | -1.2540 | |
| 207 | Y | A | 0.0000 | |
| 208 | L | A | 0.2444 | |
| 209 | I | A | 0.6065 | |
| 210 | T | A | -0.1140 | |
| 211 | P | A | -0.8109 | |
| 212 | P | A | -1.1210 | |
| 213 | K | A | -2.1091 | |
| 214 | H | A | -1.7656 | |
| 215 | T | A | -1.6115 | |
| 216 | E | A | -2.2668 | |
| 217 | L | A | -0.8742 | |
| 218 | L | A | 0.0000 | |
| 219 | L | A | 0.0000 | |
| 220 | T | A | -0.9553 | |
| 221 | T | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | S | A | -0.6203 | |
| 224 | V | A | -0.5956 | |
| 225 | S | A | 0.0000 | |
| 226 | H | A | 0.0000 | |
| 227 | G | A | 0.0000 | |
| 228 | I | A | 0.0000 | |
| 229 | N | A | -1.7838 | |
| 230 | L | A | 0.0000 | |
| 231 | Q | A | -2.9828 | |
| 232 | N | A | -3.0994 | |
| 233 | K | A | -3.3907 | |
| 234 | K | A | -3.3900 | |
| 235 | N | A | -2.7025 | |
| 236 | L | A | -2.0522 | |
| 237 | K | A | -1.8366 | |
| 238 | W | A | 0.0000 | |
| 239 | V | A | 0.0000 | |
| 240 | A | A | 0.0000 | |
| 241 | V | A | 0.0000 | |
| 242 | V | A | -0.9335 | |
| 243 | P | A | 0.0000 | |
| 244 | D | A | 0.0000 | |
| 245 | L | A | -0.4397 | |
| 246 | G | A | -0.9227 | |
| 247 | H | A | 0.0000 | |
| 248 | L | A | 0.0000 | |
| 249 | N | A | -1.8564 | |
| 250 | G | A | -1.3510 | |
| 251 | H | A | -1.6390 | |
| 252 | T | A | 0.0000 | |
| 253 | P | A | -0.2500 | |
| 254 | T | A | -0.4121 | |
| 255 | I | A | 0.0000 | |
| 256 | A | A | 0.0000 | |
| 257 | S | A | -0.2440 | |
| 258 | Y | A | 0.0000 | |
| 259 | L | A | -0.0687 | |
| 260 | T | A | 0.2110 | |
| 261 | P | A | 0.2192 | |
| 262 | L | A | 0.8212 | |
| 263 | L | A | 0.9142 | |
| 264 | E | A | -1.4308 | |
| 265 | A | A | -1.5467 | |
| 266 | K | A | -2.8034 | |
| 267 | K | A | -2.6109 | |
| 268 | L | A | 0.0000 | |
| 269 | V | A | -0.1804 | |
| 270 | W | A | 0.0000 | |
| 271 | P | A | 0.0000 | |
| 272 | L | A | 0.0000 | |
| 273 | H | A | -1.0030 | |
| 274 | L | A | 0.0000 | |
| 275 | I | A | 0.0000 | |
| 276 | F | A | 0.0000 | |
| 277 | A | A | 0.0000 | |
| 278 | Q | A | 0.0000 | |
| 279 | P | A | -0.5716 | |
| 280 | V | A | -0.6987 | |
| 281 | A | A | -1.4246 | |
| 282 | D | A | -2.8420 | |
| 283 | I | A | -2.1885 | |
| 284 | E | A | -3.1241 | |
| 285 | N | A | -2.8319 | |
| 286 | S | A | -2.1653 | |
| 287 | T | A | -1.8441 | |
| 288 | S | A | -1.3915 | |
| 289 | G | A | -1.9450 | |
| 290 | D | A | -2.4988 | |
| 291 | P | A | -1.7692 | |
| 292 | S | A | -1.4477 | |
| 293 | E | A | -2.1488 | |
| 294 | F | A | -0.4105 | |
| 295 | H | A | -0.8564 | |
| 296 | C | A | 0.2442 | |
| 297 | L | A | 0.9051 | |
| 298 | Q | A | -0.7499 | |
| 299 | D | A | -1.4484 | |
| 300 | A | A | -0.4478 | |
| 301 | L | A | -0.0318 | |
| 302 | D | A | -1.9698 | |
| 303 | A | A | -0.3644 | |
| 304 | I | A | 0.8715 | |
| 305 | D | A | -1.3641 | |
| 306 | D | A | -1.4097 | |
| 307 | F | A | 1.1323 | |
| 308 | I | A | 0.8804 | |
| 309 | Q | A | -0.7473 | |
| 310 | L | A | 0.6095 | |
| 311 | K | A | -0.9136 | |
| 312 | Q | A | -0.8259 | |
| 313 | T | A | 0.1438 | |
| 314 | A | A | 0.3096 | |
| 315 | A | A | 0.0583 | |
| 316 | Y | A | 1.1080 | |
| 807 | P | A | -0.4800 | |
| 808 | N | A | -0.6779 | |
| 809 | L | A | 0.5451 | |
| 810 | S | A | -0.3184 | |
| 811 | F | A | -0.5849 | |
| 812 | E | A | -1.7440 | |
| 813 | S | A | -1.1622 | |
| 814 | S | A | 0.0000 | |
| 815 | S | A | -0.9108 | |
| 816 | S | A | 0.0000 | |
| 817 | L | A | 0.0000 | |
| 818 | P | A | -0.3135 | |
| 819 | F | A | 0.0000 | |
| 820 | L | A | 0.0000 | |
| 821 | L | A | -0.0703 | |
| 822 | R | A | -1.2521 | |
| 823 | H | A | -0.7373 | |
| 824 | M | A | 0.0000 | |
| 825 | P | A | -0.4636 | |
| 826 | L | A | 0.0000 | |
| 827 | A | A | -0.1384 | |
| 828 | S | A | -0.1773 | |
| 829 | I | A | 0.0000 | |
| 830 | P | A | 0.0000 | |
| 831 | D | A | -0.9315 | |
| 832 | I | A | -0.3735 | |
| 833 | F | A | 0.0000 | |
| 834 | I | A | 0.0000 | |
| 835 | T | A | -0.8448 | |
| 836 | P | A | -0.5320 | |
| 837 | T | A | -0.1780 | |
| 838 | P | A | -0.2490 | |
| 839 | V | A | -0.1678 | |
| 840 | V | A | 0.0000 | |
| 841 | T | A | -0.3404 | |
| 842 | I | A | 0.0000 | |
| 843 | S | A | -2.2562 | |
| 844 | E | A | -2.9539 | |
| 845 | K | A | -3.4315 | |
| 846 | E | A | -3.1892 | |
| 847 | Q | A | -2.2430 | |
| 848 | D | A | -2.4504 | |
| 849 | I | A | 0.0000 | |
| 850 | L | A | 0.0000 | |
| 851 | D | A | -1.1171 | |
| 852 | L | A | -0.7245 | |
| 853 | I | A | 0.0000 | |
| 854 | A | A | 0.0000 | |
| 855 | E | A | -0.7774 | |
| 856 | Q | A | 0.0000 | |
| 857 | V | A | 0.0000 | |
| 858 | V | A | 0.0000 | |
| 859 | T | A | 0.0000 | |
| 860 | D | A | 0.0000 | |
| 861 | Y | A | 0.0000 | |
| 862 | N | A | -1.1429 | |
| 863 | I | A | -0.5848 | |
| 864 | L | A | 0.0000 | |
| 865 | G | A | -0.7254 | |
| 866 | N | A | -0.9938 | |
| 867 | L | A | 0.0000 | |
| 868 | G | A | -1.4558 | |
| 869 | I | A | 0.0000 | |
| 870 | P | A | -1.3078 | |
| 871 | K | A | -1.7546 | |
| 872 | I | A | -0.9642 | |
| 873 | A | A | -1.0323 | |
| 874 | Y | A | 0.0000 | |
| 875 | R | A | -1.6988 | |
| 876 | G | A | -1.0832 | |
| 877 | V | A | -1.1270 | |
| 878 | K | A | -2.5165 | |
| 879 | D | A | -2.9996 | |
| 880 | C | A | 0.0000 | |
| 881 | Q | A | -2.9804 | |
| 882 | E | A | -2.6901 | |
| 883 | G | A | -1.0936 | |
| 884 | L | A | -0.0753 | |
| 885 | I | A | -0.0786 | |
| 886 | T | A | 0.0000 | |
| 887 | T | A | -0.2999 | |
| 888 | T | A | 0.0000 | |
| 889 | M | A | 0.0000 | |
| 890 | L | A | 0.6547 | |
| 891 | Q | A | -0.6512 | |
| 892 | L | A | -0.2800 | |
| 893 | F | A | 0.0000 | |
| 894 | S | A | -0.5125 | |
| 895 | T | A | -0.6902 | |
| 896 | F | A | 0.0000 | |
| 897 | D | A | -2.0107 | |
| 898 | R | A | -1.7157 | |
| 899 | L | A | 0.0000 | |
| 900 | N | A | -1.7334 | |
| 901 | G | A | 0.0000 | |
| 902 | N | A | -2.6630 | |
| 903 | D | A | -2.1958 | |
| 904 | T | A | 0.0000 | |
| 905 | I | A | 0.0000 | |
| 906 | S | A | -1.5969 | |
| 907 | K | A | -1.5699 | |
| 908 | F | A | -0.4516 | |
| 909 | Y | A | -0.3622 | |
| 910 | N | A | -1.1771 | |
| 911 | M | A | 0.0000 | |
| 912 | K | A | -2.0668 | |
| 913 | Q | A | -1.2269 | |
| 914 | P | A | 0.0000 | |
| 915 | Y | A | 0.0364 | |
| 916 | V | A | 0.0000 | |
| 917 | F | A | 0.0483 | |
| 918 | V | A | 0.0000 | |
| 919 | K | A | -1.7813 | |
| 920 | K | A | -2.1501 | |
| 921 | H | A | -2.4468 | |
| 922 | H | A | -2.4437 | |
| 923 | E | A | -2.4511 | |
| 924 | L | A | -0.5576 | |
| 925 | I | A | -0.2792 | |
| 926 | K | A | -0.4430 | |
| 927 | V | A | 0.0764 | |
| 928 | K | A | -0.4035 | |
| 929 | H | A | 0.0000 | |
| 930 | D | A | 0.0000 | |
| 931 | S | A | 0.1166 | |
| 932 | Q | A | -0.1995 | |
| 933 | P | A | -0.2398 | |
| 934 | F | A | 0.7420 | |
| 935 | I | A | 0.0000 | |
| 936 | K | A | -0.2325 | |
| 937 | F | A | 1.7645 | |
| 938 | L | A | 1.0489 | |
| 939 | N | A | -0.8869 | |
| 940 | F | A | 0.0000 | |
| 941 | R | A | -1.4075 | |
| 942 | P | A | 0.0000 | |
| 943 | P | A | 0.0000 | |
| 944 | N | A | -0.9710 | |
| 945 | G | A | -0.2586 | |
| 946 | I | A | 1.2727 | |
| 947 | K | A | 0.0000 | |
| 948 | N | A | 0.2428 | |
| 949 | F | A | 0.0000 | |
| 950 | K | A | -0.7444 | |
| 951 | S | A | 0.0000 | |
| 952 | L | A | 0.0000 | |
| 953 | L | A | 0.0000 | |
| 954 | L | A | 0.0000 | |
| 955 | S | A | 0.0000 | |
| 956 | S | A | -0.7173 | |
| 957 | S | A | -0.7700 | |
| 958 | F | A | -0.7810 | |
| 959 | K | A | -1.2300 | |
| 960 | E | A | -2.3203 | |
| 961 | D | A | -1.8071 | |
| 962 | C | A | 0.0000 | |
| 963 | L | A | -0.6202 | |
| 964 | S | A | -1.0066 | |
| 965 | F | A | 0.0000 | |
| 966 | A | A | 0.0000 | |
| 967 | P | A | -0.5571 | |
| 968 | T | A | -0.1983 | |
| 969 | L | A | 0.0000 | |
| 970 | S | A | 0.0000 | |
| 971 | Q | A | -1.3004 | |
| 972 | T | A | -0.8517 | |
| 973 | Y | A | 0.0000 | |
| 974 | I | A | -0.2285 | |
| 975 | N | A | -1.6879 | |
| 976 | Q | A | -1.6629 | |
| 977 | E | A | -1.0525 | |
| 978 | L | A | 0.0000 | |
| 979 | G | A | 0.0000 | |
| 980 | F | A | 1.2189 | |
| 981 | C | A | 0.0000 | |
| 982 | E | A | -1.5194 | |
| 983 | L | A | -0.7265 | |
| 984 | L | A | 0.0000 | |
| 985 | K | A | -1.7932 | |
| 986 | L | A | -1.0066 | |
| 987 | T | A | -1.6180 | |
| 988 | N | A | -2.4679 | |
| 989 | E | A | -2.7056 | |
| 990 | D | A | -1.7809 | |
| 991 | P | A | -0.9872 | |
| 992 | P | A | -1.1465 | |
| 993 | G | A | 0.0000 | |
| 994 | L | A | 0.0000 | |
| 995 | M | A | 0.0000 | |
| 996 | Y | A | -0.3649 | |
| 997 | L | A | 0.0000 | |
| 998 | K | A | -1.9139 | |
| 999 | A | A | -1.5133 | |
| 1000 | F | A | -1.7330 | |
| 1001 | D | A | -3.3288 | |
| 1002 | K | A | -3.0282 | |
| 1003 | N | A | -2.5706 | |
| 1004 | K | A | -2.2062 | |
| 1005 | L | A | 0.0000 | |
| 1006 | L | A | -0.6343 | |
| 1007 | L | A | 0.6106 | |
| 1008 | L | A | 0.0000 | |
| 1009 | A | A | 0.0000 | |
| 1010 | A | A | 0.1101 | |
| 1011 | Q | A | 0.2332 | |
| 1012 | I | A | 0.0000 | |
| 1013 | V | A | -0.3126 | |
| 1014 | S | A | -0.4627 | |
| 1015 | Y | A | -0.7873 | |
| 1016 | C | A | 0.0000 | |
| 1017 | S | A | -1.2264 | |
| 1018 | N | A | -2.2417 | |
| 1019 | N | A | -2.2425 | |
| 1020 | K | A | -2.9287 | |
| 1021 | N | A | -2.5687 | |
| 1022 | S | A | -1.5987 | |
| 1023 | I | A | -0.7336 | |
| 1024 | K | A | -2.1055 | |
| 1025 | N | A | -2.0270 | |
| 1026 | V | A | -1.2682 | |
| 1027 | P | A | -0.9205 | |
| 1028 | P | A | -0.6550 | |
| 1029 | I | A | 0.0000 | |
| 1030 | L | A | 0.0000 | |
| 1031 | I | A | 0.0000 | |
| 1032 | I | A | 0.0000 | |
| 1033 | L | A | 0.0000 | |
| 1034 | P | A | 0.0000 | |
| 1035 | L | A | 0.0000 | |
| 1036 | D | A | -2.5273 | |
| 1037 | N | A | -2.3009 | |
| 1038 | A | A | -1.2232 | |
| 1039 | T | A | -0.9925 | |
| 1040 | L | A | 0.0000 | |
| 1041 | T | A | -0.6759 | |
| 1042 | E | A | -1.5166 | |
| 1043 | L | A | 0.0000 | |
| 1044 | V | A | 0.0000 | |
| 1045 | D | A | -2.0392 | |
| 1046 | K | A | -1.2387 | |
| 1047 | A | A | 0.0000 | |
| 1048 | N | A | -1.0945 | |
| 1049 | I | A | 0.0000 | |
| 1050 | F | A | 0.0000 | |
| 1051 | Q | A | -1.2177 | |
| 1052 | V | A | -0.7771 | |
| 1053 | I | A | 0.0000 | |
| 1054 | K | A | -1.4276 | |
| 1055 | N | A | -1.9780 | |
| 1056 | E | A | -1.5557 | |
| 1057 | V | A | 0.0000 | |
| 1058 | C | A | -1.6036 | |
| 1059 | A | A | -1.5229 | |
| 1060 | K | A | -2.0558 | |
| 1061 | M | A | -1.2928 | |
| 1062 | P | A | -1.5284 | |
| 1063 | N | A | -1.6679 | |
| 1064 | I | A | -1.2796 | |
| 1065 | E | A | -1.3354 | |
| 1066 | L | A | 0.0000 | |
| 1067 | Y | A | -0.1842 | |
| 1068 | L | A | 0.0000 | |
| 1069 | K | A | 0.0000 | |
| 1070 | V | A | 0.0000 | |
| 1071 | I | A | 0.0000 | |
| 1072 | P | A | 0.0000 | |
| 1073 | M | A | 0.0000 | |
| 1074 | D | A | -2.7818 | |
| 1075 | F | A | 0.0000 | |
| 1076 | I | A | 0.0000 | |
| 1077 | R | A | -2.2496 | |
| 1078 | N | A | -0.6443 | |
| 1079 | V | A | 1.5555 | |
| 1080 | L | A | 2.1600 | |
| 1081 | V | A | 0.8637 | |
| 1082 | T | A | 0.8011 | |
| 1083 | V | A | 0.7569 | |
| 1084 | D | A | -0.8439 | |
| 1085 | Q | A | -0.6638 | |
| 1086 | Y | A | -0.0742 | |
| 1087 | V | A | 0.0000 | |
| 1088 | N | A | -0.7290 | |
| 1089 | V | A | 0.0000 | |
| 1090 | A | A | 0.0000 | |
| 1091 | I | A | 0.0000 | |
| 1092 | S | A | 0.0000 | |
| 1093 | I | A | 0.0000 | |
| 1094 | Y | A | 0.0000 | |
| 1095 | N | A | 0.0000 | |
| 1096 | M | A | 0.0000 | |
| 1097 | L | A | 0.0000 | |
| 1098 | P | A | -0.9834 | |
| 1099 | P | A | -1.0014 | |
| 1100 | K | A | -1.6838 | |
| 1101 | S | A | -1.0339 | |
| 1102 | V | A | -0.7993 | |
| 1103 | K | A | -0.9017 | |
| 1104 | F | A | 0.0000 | |
| 1105 | T | A | 0.0000 | |
| 1106 | H | A | -0.1496 | |
| 1107 | I | A | 0.0000 | |
| 1108 | A | A | 0.0000 | |
| 1109 | H | A | -0.2610 | |
| 1110 | T | A | 0.0308 | |
| 1111 | L | A | 0.7523 | |
| 1112 | P | A | -0.7271 | |
| 1113 | E | A | -2.1122 | |
| 1114 | K | A | -1.6827 | |
| 1115 | V | A | 0.4076 | |
| 1116 | N | A | -0.5226 | |
| 1117 | F | A | 0.7795 | |
| 1118 | R | A | -0.8486 | |
| 1119 | T | A | -0.6179 | |
| 1120 | M | A | -0.2336 | |
| 1121 | Q | A | -1.5089 | |
| 1122 | Q | A | -1.8104 | |
| 1123 | Q | A | -1.8859 | |
| 1124 | Q | A | -2.2177 | |
| 1125 | M | A | -1.8188 | |
| 1126 | Q | A | -3.0270 | |
| 1127 | Q | A | -3.2468 | |
| 1128 | Q | A | -3.5297 | |
| 1129 | Q | A | -3.7667 | |
| 1130 | Q | A | -3.8645 | |
| 1131 | Q | A | -4.0726 | |
| 1132 | Q | A | -3.9540 | |
| 1133 | Q | A | -3.8775 | |
| 1134 | Q | A | -3.9522 | |
| 1135 | Q | A | -3.5713 | |
| 1136 | Q | A | -3.2155 | |
| 1137 | N | A | -3.1717 | |
| 1138 | N | A | -2.6283 | |
| 1139 | S | A | -1.3784 | |
| 1140 | T | A | -1.0287 | |
| 1141 | G | A | -1.0602 | |
| 1142 | S | A | -1.3476 | |
| 1143 | S | A | -0.4123 | |
| 1144 | S | A | -0.2381 | |
| 1145 | I | A | 0.9326 | |
| 1146 | I | A | 0.9926 | |
| 1147 | Y | A | 0.6507 | |
| 1148 | Y | A | -0.5590 | |
| 1149 | D | A | -1.6732 | |
| 1150 | S | A | -0.7131 | |
| 1151 | Y | A | -0.3508 | |
| 1152 | I | A | 0.0000 | |
| 1153 | H | A | 0.0000 | |
| 1154 | L | A | 0.0000 | |
| 1155 | A | A | 0.0000 | |
| 1156 | Y | A | 0.0000 | |
| 1157 | S | A | 0.0000 | |
| 1158 | R | A | -0.2108 | |
| 1159 | S | A | 0.0000 | |
| 1160 | V | A | 0.4630 | |
| 1161 | D | A | 0.0000 | |
| 1162 | K | A | -1.0549 | |
| 1163 | E | A | -0.9762 | |
| 1164 | W | A | 0.0000 | |
| 1165 | V | A | 0.0000 | |
| 1166 | F | A | 0.0000 | |
| 1167 | A | A | 0.0000 | |
| 1168 | A | A | 0.0000 | |
| 1169 | L | A | 0.0000 | |
| 1170 | S | A | 0.0000 | |
| 1171 | D | A | 0.0000 | |
| 1172 | S | A | -0.1024 | |
| 1173 | Y | A | 0.2215 | |
| 1174 | G | A | 0.0000 | |
| 1175 | Q | A | -0.5299 | |
| 1176 | G | A | -0.6073 | |
| 1177 | S | A | -0.2912 | |
| 1178 | M | A | -0.1153 | |
| 1179 | T | A | -0.2449 | |
| 1180 | K | A | -0.6991 | |
| 1181 | T | A | 0.0000 | |
| 1182 | W | A | 0.0000 | |
| 1183 | Y | A | -0.3223 | |
| 1184 | V | A | 0.0000 | |
| 1185 | G | A | -1.3151 | |
| 1186 | N | A | -2.2525 | |
| 1187 | S | A | -2.1326 | |
| 1188 | R | A | -3.2048 | |
| 1189 | G | A | -2.4196 | |
| 1190 | K | A | -2.4658 | |
| 1191 | F | A | 0.0000 | |
| 1192 | D | A | -2.3495 | |
| 1193 | D | A | -2.8115 | |
| 1194 | A | A | 0.0000 | |
| 1195 | C | A | 0.0000 | |
| 1196 | N | A | -1.8704 | |
| 1197 | Q | A | -1.5217 | |
| 1198 | I | A | 0.0000 | |
| 1199 | W | A | 0.0000 | |
| 1200 | N | A | -1.4070 | |
| 1201 | I | A | -0.6854 | |
| 1202 | A | A | 0.0000 | |
| 1203 | L | A | -0.7993 | |
| 1204 | N | A | -1.6997 | |
| 1205 | L | A | 0.0000 | |
| 1206 | A | A | 0.0000 | |
| 1207 | S | A | -1.1110 | |
| 1208 | K | A | -1.8797 | |
| 1209 | K | A | -1.1268 | |
| 1210 | F | A | 0.4669 | |
| 1211 | G | A | -0.5924 | |
| 1212 | K | A | -1.2955 | |
| 1213 | I | A | -0.6376 | |
| 1214 | C | A | 0.0000 | |
| 1215 | L | A | 0.0000 | |
| 1216 | I | A | 0.0000 | |
| 1217 | L | A | 0.0000 | |
| 1218 | T | A | 0.0000 | |
| 1219 | R | A | 0.0000 | |
| 1220 | L | A | 0.0000 | |
| 1221 | N | A | -1.0549 | |
| 1222 | G | A | 0.0000 | |
| 1223 | I | A | -0.2384 | |
| 1224 | L | A | 0.0000 | |
| 1225 | P | A | -0.8337 | |
| 1226 | D | A | -1.5074 | |
| 1227 | D | A | -1.8663 | |
| 1228 | E | A | 0.0000 | |
| 1229 | L | A | -0.8865 | |
| 1230 | M | A | -0.7647 | |
| 1231 | N | A | -1.4876 | |
| 1232 | W | A | 0.0000 | |
| 1233 | R | A | -2.3483 | |
| 1234 | R | A | -2.5277 | |
| 1235 | L | A | -1.7034 | |
| 1236 | S | A | -1.9456 | |
| 1237 | G | A | -2.3066 | |
| 1238 | R | A | -2.6327 | |
| 1239 | N | A | -2.2498 | |
| 1240 | I | A | -1.1123 | |
| 1241 | H | A | -0.7736 | |
| 1242 | L | A | -0.6215 | |
| 1243 | A | A | 0.0000 | |
| 1244 | V | A | 0.0000 | |
| 1245 | V | A | 0.0000 | |
| 1246 | C | A | 0.0000 | |
| 1247 | V | A | 0.0000 | |
| 1248 | D | A | -0.8296 | |
| 1249 | D | A | -1.1481 | |
| 1250 | N | A | -1.2639 | |
| 1251 | S | A | -0.9190 | |
| 1252 | K | A | -0.7521 | |
| 1253 | I | A | -0.2865 | |
| 1254 | S | A | 0.0000 | |
| 1255 | F | A | 0.0000 | |
| 1256 | I | A | 0.0000 | |
| 1257 | D | A | 0.0000 | |
| 1258 | E | A | -2.1127 | |
| 1259 | D | A | 0.0000 | |
| 1260 | K | A | -1.8163 | |
| 1261 | L | A | 0.4287 | |
| 1262 | Y | A | 0.0000 | |
| 1263 | P | A | 0.0000 | |
| 1264 | S | A | 0.0390 | |
| 1265 | F | A | 0.3992 | |
| 1266 | K | A | 0.0000 | |
| 1267 | P | A | 0.0005 | |
| 1268 | I | A | 0.3443 | |
| 1269 | Y | A | -0.2542 | |
| 1270 | K | A | -1.5998 | |
| 1271 | D | A | -0.8810 | |
| 1272 | T | A | -0.4986 | |
| 1273 | R | A | -1.4303 | |
| 1274 | F | A | 0.5594 | |
| 1275 | G | A | -0.3175 | |
| 1276 | G | A | -1.1517 | |
| 1277 | R | A | -1.8189 | |
| 1278 | M | A | -0.5362 | |
| 1279 | D | A | -0.3362 | |
| 1280 | M | A | 0.6568 | |
| 1281 | T | A | -0.0595 | |
| 1282 | R | A | -0.7355 | |
| 1283 | L | A | 0.6146 | |
| 1284 | Y | A | 0.5043 | |
| 1285 | D | A | -0.8457 | |
| 1286 | Y | A | -0.0148 | |
| 1287 | E | A | -0.7534 | |
| 1288 | I | A | 0.4971 | |
| 1289 | R | A | -1.0962 | |
| 1290 | D | A | -0.7213 | |
| 1291 | I | A | -0.4701 | |
| 1292 | D | A | -1.2687 | |
| 1293 | Q | A | 0.0000 | |
| 1294 | D | A | 0.0000 | |
| 1295 | I | A | 0.0000 | |
| 1296 | H | A | 0.0000 | |
| 1297 | G | A | 0.0000 | |
| 1298 | I | A | 0.0000 | |
| 1299 | V | A | 0.0000 | |
| 1300 | F | A | 0.0000 | |
| 1301 | Q | A | -1.7841 | |
| 1302 | H | A | -0.7940 | |
| 1303 | P | A | 0.0000 | |
| 1304 | F | A | 0.0000 | |
| 1305 | P | A | -0.2827 | |
| 1306 | L | A | 0.0000 | |
| 1307 | A | A | -0.4261 | |
| 1308 | H | A | -0.6685 | |
| 1309 | S | A | -0.5527 | |
| 1310 | Q | A | -1.0160 | |
| 1311 | H | A | -1.3452 | |
| 1312 | R | A | -1.2932 | |
| 1313 | C | A | 0.0000 | |
| 1314 | A | A | 0.0000 | |
| 1315 | I | A | -0.3732 | |
| 1316 | R | A | -0.4003 | |
| 1317 | S | A | 0.0000 | |
| 1318 | G | A | 0.0000 | |
| 1319 | A | A | 0.0000 | |
| 1320 | L | A | 0.0000 | |
| 1321 | I | A | 0.0000 | |
| 1322 | K | A | 0.0000 | |
| 1323 | F | A | 0.0000 | |
| 1324 | K | A | -2.3198 | |
| 1325 | K | A | -1.4787 | |
| 1326 | C | A | -1.5847 | |
| 1327 | D | A | -1.8908 | |
| 1328 | G | A | -2.0915 | |
| 1329 | D | A | -2.6692 | |
| 1330 | T | A | -1.4495 | |
| 1331 | V | A | -0.6643 | |
| 1332 | W | A | 0.0000 | |
| 1333 | D | A | -1.3975 | |
| 1334 | K | A | 0.0000 | |
| 1335 | F | A | 0.0000 | |
| 1336 | A | A | 0.0000 | |
| 1337 | V | A | 0.0000 | |
| 1338 | N | A | 0.0000 | |
| 1339 | L | A | 0.0000 | |
| 1340 | L | A | 0.0000 | |
| 1341 | N | A | -0.7896 | |
| 1342 | C | A | -0.4347 | |
| 1343 | P | A | -0.0677 | |
| 1344 | H | A | 0.0000 | |
| 1345 | S | A | -0.1998 | |
| 1346 | D | A | -0.8014 | |
| 1347 | S | A | -0.7195 | |
| 1348 | T | A | -0.6072 | |
| 1349 | Q | A | -0.7525 | |
| 1350 | L | A | 0.0000 | |
| 1351 | L | A | 0.0000 | |
| 1352 | E | A | -0.8878 | |
| 1353 | T | A | -0.8244 | |
| 1354 | I | A | 0.0000 | |
| 1355 | L | A | 0.0000 | |
| 1356 | E | A | -1.8465 | |
| 1357 | E | A | -0.8821 | |
| 1358 | F | A | 0.0000 | |
| 1359 | R | A | 0.0000 | |
| 1360 | N | A | -0.6297 | |
| 1361 | L | A | 0.0000 | |
| 1362 | A | A | 0.0000 | |
| 1363 | A | A | 0.0000 | |
| 1364 | L | A | 0.0000 | |
| 1365 | N | A | 0.0000 | |
| 1366 | V | A | 0.0000 | |
| 1367 | W | A | 0.0000 | |
| 1368 | Y | A | 0.0000 | |
| 1369 | G | A | 0.0000 | |
| 1370 | L | A | 0.0000 | |
| 1371 | S | A | 0.0000 | |
| 1372 | D | A | -2.5657 | |
| 1373 | G | A | 0.0000 | |
| 1374 | E | A | -2.8593 | |
| 1375 | D | A | -1.8285 | |
| 1376 | G | A | -1.1979 | |
| 1377 | H | A | 0.0000 | |
| 1378 | I | A | 0.0000 | |
| 1379 | P | A | 0.0000 | |
| 1380 | W | A | 0.0000 | |
| 1381 | H | A | 0.0000 | |
| 1382 | I | A | 0.0000 | |
| 1383 | L | A | 0.0000 | |
| 1384 | A | A | 0.0000 | |
| 1385 | V | A | 0.0000 | |
| 1386 | K | A | -0.7858 | |
| 1387 | K | A | -0.6833 | |
| 1388 | M | A | 0.0000 | |
| 1389 | M | A | -0.3597 | |
| 1390 | N | A | -0.9489 | |
| 1391 | T | A | 0.0000 | |
| 1392 | L | A | 0.0000 | |
| 1393 | V | A | 0.0000 | |
| 1394 | H | A | 0.0000 | |
| 1395 | T | A | 0.0000 | |
| 1396 | R | A | -0.8936 | |
| 1397 | V | A | -0.5439 | |
| 1398 | K | A | -1.2147 | |
| 1399 | I | A | -0.3390 | |
| 1400 | A | A | -0.7906 | |
| 1401 | N | A | -1.5086 | |
| 1402 | T | A | -0.8475 | |
| 1403 | S | A | -0.3670 | |
| 1404 | A | A | -0.1136 | |
| 1405 | A | A | 0.0306 | |
| 1406 | T | A | 0.4664 | |
| 1407 | V | A | 1.2535 | |
| 1408 | H | A | -0.1697 | |
| 1409 | T | A | -0.1378 | |
| 1410 | A | A | -0.0534 | |
| 1411 | T | A | -0.4277 | |
| 1412 | S | A | -0.1458 | |
| 1413 | S | A | 0.4587 | |
| 1414 | S | A | 1.3796 | |
| 1415 | I | A | 3.1833 | |
| 1416 | I | A | 3.3955 | |
| 1417 | L | A | 2.2851 | |
| 1418 | S | A | 0.1324 | |
| 1419 | D | A | -2.1217 | |
| 1420 | K | A | -2.4476 |
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 | -0.5075 | 5.2871 | View | CSV | PDB |
| 4.5 | -0.5639 | 4.9492 | View | CSV | PDB |
| 5.0 | -0.6307 | 4.5775 | View | CSV | PDB |
| 5.5 | -0.6952 | 4.3335 | View | CSV | PDB |
| 6.0 | -0.744 | 4.284 | View | CSV | PDB |
| 6.5 | -0.7684 | 4.2343 | View | CSV | PDB |
| 7.0 | -0.7692 | 4.3022 | View | CSV | PDB |
| 7.5 | -0.7546 | 4.4416 | View | CSV | PDB |
| 8.0 | -0.7313 | 4.5874 | View | CSV | PDB |
| 8.5 | -0.7003 | 4.735 | View | CSV | PDB |
| 9.0 | -0.6593 | 4.8822 | 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