| Chain sequence(s) |
A: AVKAARYGKDNVRVYKVHKDEKTGVQTVYEMTVCVLLEGEIETSYTKADNSVIVATDSIKNTIYITAKQNPVTPPELFGSILGTHFIEKYNHIHAAHVNIVCHRWTRMDIDGKPHPHSFIRDSEEKRNVQVDVVEGKGIDIKSSLSGLTVLKSTNSQFWGFLRDEYTTLKETWDRILSTDVDATWQWKNFSGLQEVRSHVPKFDATWATAREVTLKTFAEDNSASVQATMYKMAEQILARQQLIETVEYSLPNKHYFEIDLSWHKGLQNTGKNAEVFAPQSDPNGLIKCTVGRS
C: AVKAARYGKDNVRVYKVHKDEKTGVQTVYEMTVCVLLEGEIETSYTKADNSVIVATDSIKNTIYITAKQNPVTPPELFGSILGTHFIEKYNHIHAAHVNIVCHRWTRMDIDGKPHPHSFIRDSEEKRNVQVDVVEGKGIDIKSSLSGLTVLKSTNSQFWGFLRDEYTTLKETWDRILSTDVDATWQWKNFSGLQEVRSHVPKFDATWATAREVTLKTFAEDNSASVQATMYKMAEQILARQQLIETVEYSLPNKHYFEIDLSWHKGLQNTGKNAEVFAPQSDPNGLIKCTVGRSSLK B: AVKAARYGKDNVRVYKVHKDEKTGVQTVYEMTVCVLLEGEIETSYTKADNSVIVATDSIKNTIYITAKQNPVTPPELFGSILGTHFIEKYNHIHAAHVNIVCHRWTRMDIDGKPHPHSFIRDSEEKRNVQVDVVEGKGIDIKSSLSGLTVLKSTNSQFWGFLRDEYTTLKETWDRILSTDVDATWQWKNFSGLQEVRSHVPKFDATWATAREVTLKTFAEDNSASVQATMYKMAEQILARQQLIETVEYSLPNKHYFEIDLSWHKGLQNTGKNAEVFAPQSDPNGLIKCTVGRS D: AVKAARYGKDNVRVYKVHKDEKTGVQTVYEMTVCVLLEGEIETSYTKADNSVIVATDSIKNTIYITAKQNPVTPPELFGSILGTHFIEKYNHIHAAHVNIVCHRWTRMDIGKPHPHSFIRDSEEKRNVQVDVVEGKGIDIKSSLSGLTVLKSTNSQFWGFLRDEYTTLKETWDRILSTDVDATWQWKNFSGLQEVRSHVPKFDATWATAREVTLKTFAEDNSASVQATMYKMAEQILARQQLIETVEYSLPNKHYFEIDLSWHKGLQNTGKNAEVFAPQSDPNGLIKCTVGRS input PDB |
| Selected Chain(s) | A,B,C,D |
| 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:08)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:35:47)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/4efadd3610ce0c3/tmp/folded.pdb (00:35:47)
[INFO] Main: Simulation completed successfully. (00:48:35)
|
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 |
|---|---|---|---|---|
| 2 | A | A | -0.9053 | |
| 3 | V | A | -1.0774 | |
| 4 | K | A | -1.9603 | |
| 5 | A | A | -1.3209 | |
| 6 | A | A | 0.0000 | |
| 7 | R | A | -1.0805 | |
| 8 | Y | A | 0.0000 | |
| 9 | G | A | 0.0000 | |
| 10 | K | A | 0.0000 | |
| 11 | D | A | -0.8140 | |
| 12 | N | A | -1.0024 | |
| 13 | V | A | 0.0000 | |
| 14 | R | A | -0.6358 | |
| 15 | V | A | 0.0000 | |
| 16 | Y | A | 0.0000 | |
| 17 | K | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | H | A | -1.7319 | |
| 20 | K | A | -2.3652 | |
| 21 | D | A | -2.5682 | |
| 22 | E | A | -3.2818 | |
| 23 | K | A | -2.9052 | |
| 24 | T | A | -1.5998 | |
| 25 | G | A | -1.5439 | |
| 26 | V | A | -0.7967 | |
| 27 | Q | A | -0.9989 | |
| 28 | T | A | -0.5351 | |
| 29 | V | A | 0.0000 | |
| 30 | Y | A | 0.1008 | |
| 31 | E | A | 0.0000 | |
| 32 | M | A | 0.0000 | |
| 33 | T | A | -0.3677 | |
| 34 | V | A | 0.0000 | |
| 35 | C | A | -0.5285 | |
| 36 | V | A | 0.0000 | |
| 37 | L | A | -0.3943 | |
| 38 | L | A | 0.0000 | |
| 39 | E | A | -1.3841 | |
| 40 | G | A | -1.9928 | |
| 41 | E | A | -2.5912 | |
| 42 | I | A | 0.0000 | |
| 43 | E | A | -2.4686 | |
| 44 | T | A | -1.6735 | |
| 45 | S | A | 0.0000 | |
| 46 | Y | A | 0.0000 | |
| 47 | T | A | -1.4183 | |
| 48 | K | A | -2.0400 | |
| 49 | A | A | -1.1512 | |
| 50 | D | A | -1.1160 | |
| 51 | N | A | 0.0000 | |
| 52 | S | A | -0.2541 | |
| 53 | V | A | -0.3995 | |
| 54 | I | A | 0.0000 | |
| 55 | V | A | 0.0000 | |
| 56 | A | A | 0.0000 | |
| 57 | T | A | -0.3577 | |
| 58 | D | A | -0.6293 | |
| 59 | S | A | 0.0000 | |
| 60 | I | A | 0.0000 | |
| 61 | K | A | -0.7787 | |
| 62 | N | A | -0.6233 | |
| 63 | T | A | 0.0000 | |
| 64 | I | A | 0.0000 | |
| 65 | Y | A | 0.0000 | |
| 66 | I | A | 0.0000 | |
| 67 | T | A | 0.0000 | |
| 68 | A | A | 0.0000 | |
| 69 | K | A | 0.0000 | |
| 70 | Q | A | -1.4245 | |
| 71 | N | A | -0.9596 | |
| 72 | P | A | -0.6234 | |
| 73 | V | A | 0.0000 | |
| 74 | T | A | -0.1645 | |
| 75 | P | A | 0.0000 | |
| 76 | P | A | 0.0000 | |
| 77 | E | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | F | A | 0.0000 | |
| 80 | G | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | I | A | -0.1680 | |
| 83 | L | A | 0.0000 | |
| 84 | G | A | 0.0000 | |
| 85 | T | A | -0.8757 | |
| 86 | H | A | -1.0887 | |
| 87 | F | A | 0.0000 | |
| 88 | I | A | -1.7906 | |
| 89 | E | A | -2.8561 | |
| 90 | K | A | -2.2232 | |
| 91 | Y | A | 0.0000 | |
| 92 | N | A | -2.1735 | |
| 93 | H | A | -1.7780 | |
| 94 | I | A | 0.0000 | |
| 95 | H | A | -2.0012 | |
| 96 | A | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | H | A | -0.6702 | |
| 99 | V | A | 0.0000 | |
| 100 | N | A | -0.8484 | |
| 101 | I | A | 0.0000 | |
| 102 | V | A | -0.1754 | |
| 103 | C | A | -0.1251 | |
| 104 | H | A | -0.8526 | |
| 105 | R | A | -1.2438 | |
| 106 | W | A | 0.0000 | |
| 107 | T | A | -0.7314 | |
| 108 | R | A | -1.2145 | |
| 109 | M | A | 0.0000 | |
| 110 | D | A | -3.2511 | |
| 111 | I | A | 0.0000 | |
| 112 | D | A | -3.3676 | |
| 113 | G | A | -2.8542 | |
| 114 | K | A | -3.2329 | |
| 115 | P | A | -2.1985 | |
| 116 | H | A | 0.0000 | |
| 117 | P | A | -0.5908 | |
| 118 | H | A | 0.0000 | |
| 119 | S | A | 0.0000 | |
| 120 | F | A | 0.0000 | |
| 121 | I | A | -0.4953 | |
| 122 | R | A | -1.4087 | |
| 123 | D | A | -1.4725 | |
| 124 | S | A | 0.0000 | |
| 125 | E | A | -2.7641 | |
| 126 | E | A | 0.0000 | |
| 127 | K | A | -1.1058 | |
| 128 | R | A | -0.4837 | |
| 129 | N | A | -0.4837 | |
| 130 | V | A | 0.0000 | |
| 131 | Q | A | -1.0832 | |
| 132 | V | A | 0.0000 | |
| 133 | D | A | -1.3396 | |
| 134 | V | A | 0.0000 | |
| 135 | V | A | -1.5774 | |
| 136 | E | A | -2.7275 | |
| 137 | G | A | -2.1672 | |
| 138 | K | A | -2.7993 | |
| 139 | G | A | -1.9271 | |
| 140 | I | A | 0.0000 | |
| 141 | D | A | -2.1006 | |
| 142 | I | A | 0.0000 | |
| 143 | K | A | -1.6219 | |
| 144 | S | A | 0.0000 | |
| 145 | S | A | -0.6575 | |
| 146 | L | A | 0.0000 | |
| 147 | S | A | -0.9264 | |
| 148 | G | A | -1.1579 | |
| 149 | L | A | 0.0000 | |
| 150 | T | A | -0.7328 | |
| 151 | V | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | K | A | 0.0000 | |
| 154 | S | A | 0.0000 | |
| 155 | T | A | -0.9516 | |
| 156 | N | A | -1.6995 | |
| 157 | S | A | 0.0000 | |
| 158 | Q | A | -0.7205 | |
| 159 | F | A | -0.3389 | |
| 160 | W | A | -0.2525 | |
| 161 | G | A | -0.5541 | |
| 162 | F | A | 0.0000 | |
| 163 | L | A | -0.2913 | |
| 164 | R | A | -1.4337 | |
| 165 | D | A | -1.2858 | |
| 166 | E | A | -1.3899 | |
| 167 | Y | A | -0.8064 | |
| 168 | T | A | -0.9357 | |
| 169 | T | A | -0.9491 | |
| 170 | L | A | -1.2214 | |
| 171 | K | A | -2.2768 | |
| 172 | E | A | -2.2034 | |
| 173 | T | A | -1.1650 | |
| 174 | W | A | -0.3283 | |
| 175 | D | A | -2.0396 | |
| 176 | R | A | -1.1959 | |
| 177 | I | A | -0.4627 | |
| 178 | L | A | 0.0000 | |
| 179 | S | A | 0.0000 | |
| 180 | T | A | 0.0000 | |
| 181 | D | A | -0.7814 | |
| 182 | V | A | 0.0000 | |
| 183 | D | A | -1.0869 | |
| 184 | A | A | 0.0000 | |
| 185 | T | A | -0.7620 | |
| 186 | W | A | 0.0000 | |
| 187 | Q | A | -1.6220 | |
| 188 | W | A | 0.0000 | |
| 189 | K | A | -2.0195 | |
| 190 | N | A | -2.2246 | |
| 191 | F | A | 0.0000 | |
| 192 | S | A | -1.3795 | |
| 193 | G | A | -1.4351 | |
| 194 | L | A | -0.9420 | |
| 195 | Q | A | -1.9543 | |
| 196 | E | A | -1.6652 | |
| 197 | V | A | 0.0000 | |
| 198 | R | A | -2.2015 | |
| 199 | S | A | -1.5299 | |
| 200 | H | A | -1.1917 | |
| 201 | V | A | -0.9547 | |
| 202 | P | A | -1.0722 | |
| 203 | K | A | -1.1291 | |
| 204 | F | A | 0.0000 | |
| 205 | D | A | -1.4990 | |
| 206 | A | A | -0.8408 | |
| 207 | T | A | 0.0000 | |
| 208 | W | A | -0.8287 | |
| 209 | A | A | -0.9262 | |
| 210 | T | A | -1.2167 | |
| 211 | A | A | 0.0000 | |
| 212 | R | A | -1.2584 | |
| 213 | E | A | -2.2896 | |
| 214 | V | A | 0.0000 | |
| 215 | T | A | 0.0000 | |
| 216 | L | A | -1.3351 | |
| 217 | K | A | -2.2904 | |
| 218 | T | A | -1.7582 | |
| 219 | F | A | 0.0000 | |
| 220 | A | A | 0.0000 | |
| 221 | E | A | -2.5437 | |
| 222 | D | A | -2.1239 | |
| 223 | N | A | -2.0693 | |
| 224 | S | A | -1.0068 | |
| 225 | A | A | -0.3633 | |
| 226 | S | A | 0.0000 | |
| 227 | V | A | 0.0485 | |
| 228 | Q | A | 0.0000 | |
| 229 | A | A | 0.0000 | |
| 230 | T | A | 0.0000 | |
| 231 | M | A | 0.0000 | |
| 232 | Y | A | -1.0828 | |
| 233 | K | A | -1.7152 | |
| 234 | M | A | 0.0000 | |
| 235 | A | A | 0.0000 | |
| 236 | E | A | -2.0845 | |
| 237 | Q | A | -1.6604 | |
| 238 | I | A | 0.0000 | |
| 239 | L | A | 0.0000 | |
| 240 | A | A | -1.7190 | |
| 241 | R | A | -2.3874 | |
| 242 | Q | A | -1.9048 | |
| 243 | Q | A | -2.1111 | |
| 244 | L | A | -1.5094 | |
| 245 | I | A | 0.0000 | |
| 246 | E | A | -2.5752 | |
| 247 | T | A | 0.0000 | |
| 248 | V | A | 0.0000 | |
| 249 | E | A | -1.3193 | |
| 250 | Y | A | 0.0000 | |
| 251 | S | A | -0.7433 | |
| 252 | L | A | 0.0000 | |
| 253 | P | A | -0.5356 | |
| 254 | N | A | 0.0000 | |
| 255 | K | A | -0.8273 | |
| 256 | H | A | -0.3875 | |
| 257 | Y | A | 0.2458 | |
| 258 | F | A | 0.5907 | |
| 259 | E | A | -0.8964 | |
| 260 | I | A | -1.0305 | |
| 261 | D | A | -1.9877 | |
| 262 | L | A | 0.0000 | |
| 263 | S | A | -1.2168 | |
| 264 | W | A | -0.5544 | |
| 265 | H | A | 0.0000 | |
| 266 | K | A | -2.0096 | |
| 267 | G | A | -1.5457 | |
| 268 | L | A | -1.5564 | |
| 269 | Q | A | -2.2139 | |
| 270 | N | A | 0.0000 | |
| 271 | T | A | -1.8493 | |
| 272 | G | A | -2.2550 | |
| 273 | K | A | -2.5542 | |
| 274 | N | A | -2.0292 | |
| 275 | A | A | -1.7966 | |
| 276 | E | A | -1.7209 | |
| 277 | V | A | 0.0000 | |
| 278 | F | A | -0.1653 | |
| 279 | A | A | 0.1935 | |
| 280 | P | A | 0.0000 | |
| 281 | Q | A | -0.4821 | |
| 282 | S | A | -0.8204 | |
| 283 | D | A | -1.0452 | |
| 284 | P | A | -1.0078 | |
| 285 | N | A | -0.8946 | |
| 286 | G | A | 0.0000 | |
| 287 | L | A | -0.3151 | |
| 288 | I | A | 0.0000 | |
| 289 | K | A | -0.7898 | |
| 290 | C | A | 0.0000 | |
| 291 | T | A | 0.0000 | |
| 292 | V | A | 0.0000 | |
| 293 | G | A | 0.0000 | |
| 294 | R | A | -2.3111 | |
| 295 | S | A | -1.0344 | |
| 2 | A | B | -1.0467 | |
| 3 | V | B | -1.0674 | |
| 4 | K | B | -2.0150 | |
| 5 | A | B | -1.3053 | |
| 6 | A | B | -1.4771 | |
| 7 | R | B | -1.0894 | |
| 8 | Y | B | 0.0000 | |
| 9 | G | B | 0.0000 | |
| 10 | K | B | 0.0000 | |
| 11 | D | B | -0.7889 | |
| 12 | N | B | -0.9542 | |
| 13 | V | B | 0.0000 | |
| 14 | R | B | -0.5863 | |
| 15 | V | B | 0.0000 | |
| 16 | Y | B | 0.0000 | |
| 17 | K | B | 0.0000 | |
| 18 | V | B | 0.0000 | |
| 19 | H | B | -1.7302 | |
| 20 | K | B | -3.1794 | |
| 21 | D | B | -3.4032 | |
| 22 | E | B | -3.6889 | |
| 23 | K | B | -3.1086 | |
| 24 | T | B | -1.8844 | |
| 25 | G | B | -1.8466 | |
| 26 | V | B | -0.9315 | |
| 27 | Q | B | -1.3095 | |
| 28 | T | B | -0.6694 | |
| 29 | V | B | 0.0000 | |
| 30 | Y | B | 0.2940 | |
| 31 | E | B | 0.0000 | |
| 32 | M | B | 0.0000 | |
| 33 | T | B | -0.2843 | |
| 34 | V | B | 0.0000 | |
| 35 | C | B | -0.4650 | |
| 36 | V | B | 0.0000 | |
| 37 | L | B | -0.4021 | |
| 38 | L | B | 0.0000 | |
| 39 | E | B | -1.4222 | |
| 40 | G | B | -2.0464 | |
| 41 | E | B | -2.5931 | |
| 42 | I | B | 0.0000 | |
| 43 | E | B | -2.3067 | |
| 44 | T | B | -1.6643 | |
| 45 | S | B | 0.0000 | |
| 46 | Y | B | 0.0000 | |
| 47 | T | B | -1.4299 | |
| 48 | K | B | -2.0707 | |
| 49 | A | B | -1.1884 | |
| 50 | D | B | -1.2584 | |
| 51 | N | B | 0.0000 | |
| 52 | S | B | -0.2929 | |
| 53 | V | B | -0.4139 | |
| 54 | I | B | 0.0000 | |
| 55 | V | B | 0.0000 | |
| 56 | A | B | 0.0000 | |
| 57 | T | B | -0.3496 | |
| 58 | D | B | -0.6221 | |
| 59 | S | B | 0.0000 | |
| 60 | I | B | 0.0000 | |
| 61 | K | B | -0.7187 | |
| 62 | N | B | -0.4468 | |
| 63 | T | B | 0.0000 | |
| 64 | I | B | 0.0000 | |
| 65 | Y | B | 0.0000 | |
| 66 | I | B | 0.0000 | |
| 67 | T | B | 0.0000 | |
| 68 | A | B | 0.0000 | |
| 69 | K | B | -1.0903 | |
| 70 | Q | B | -1.4918 | |
| 71 | N | B | -0.9515 | |
| 72 | P | B | -0.5634 | |
| 73 | V | B | 0.0000 | |
| 74 | T | B | -0.1814 | |
| 75 | P | B | 0.0000 | |
| 76 | P | B | 0.0000 | |
| 77 | E | B | 0.0000 | |
| 78 | L | B | 0.0000 | |
| 79 | F | B | 0.0000 | |
| 80 | G | B | 0.0000 | |
| 81 | S | B | 0.0000 | |
| 82 | I | B | -0.0235 | |
| 83 | L | B | 0.0000 | |
| 84 | G | B | 0.0000 | |
| 85 | T | B | -0.7101 | |
| 86 | H | B | -0.8987 | |
| 87 | F | B | 0.0000 | |
| 88 | I | B | -1.7233 | |
| 89 | E | B | -2.7126 | |
| 90 | K | B | -2.0336 | |
| 91 | Y | B | 0.0000 | |
| 92 | N | B | -2.1843 | |
| 93 | H | B | -1.8466 | |
| 94 | I | B | 0.0000 | |
| 95 | H | B | -1.8886 | |
| 96 | A | B | 0.0000 | |
| 97 | A | B | 0.0000 | |
| 98 | H | B | -0.6111 | |
| 99 | V | B | 0.0000 | |
| 100 | N | B | -0.7592 | |
| 101 | I | B | 0.0000 | |
| 102 | V | B | 0.0656 | |
| 103 | C | B | 0.1284 | |
| 104 | H | B | -0.5593 | |
| 105 | R | B | -0.7932 | |
| 106 | W | B | -0.2222 | |
| 107 | T | B | -0.5678 | |
| 108 | R | B | -1.0003 | |
| 109 | M | B | 0.0000 | |
| 110 | D | B | -3.0948 | |
| 111 | I | B | -3.0054 | |
| 112 | D | B | -3.2316 | |
| 113 | G | B | -2.7269 | |
| 114 | K | B | -3.1142 | |
| 115 | P | B | -2.1551 | |
| 116 | H | B | 0.0000 | |
| 117 | P | B | -0.7506 | |
| 118 | H | B | -0.6353 | |
| 119 | S | B | 0.0000 | |
| 120 | F | B | 0.0000 | |
| 121 | I | B | -0.3579 | |
| 122 | R | B | -1.1716 | |
| 123 | D | B | -1.3410 | |
| 124 | S | B | 0.0000 | |
| 125 | E | B | -2.5220 | |
| 126 | E | B | 0.0000 | |
| 127 | K | B | -0.9598 | |
| 128 | R | B | -0.3452 | |
| 129 | N | B | -0.3792 | |
| 130 | V | B | 0.0000 | |
| 131 | Q | B | -0.9990 | |
| 132 | V | B | 0.0000 | |
| 133 | D | B | -1.2795 | |
| 134 | V | B | 0.0000 | |
| 135 | V | B | -1.6074 | |
| 136 | E | B | -2.7480 | |
| 137 | G | B | -2.2027 | |
| 138 | K | B | -2.7795 | |
| 139 | G | B | -1.9444 | |
| 140 | I | B | 0.0000 | |
| 141 | D | B | -2.1084 | |
| 142 | I | B | 0.0000 | |
| 143 | K | B | -1.3005 | |
| 144 | S | B | 0.0000 | |
| 145 | S | B | -0.6955 | |
| 146 | L | B | 0.0000 | |
| 147 | S | B | -1.0151 | |
| 148 | G | B | -1.2437 | |
| 149 | L | B | 0.0000 | |
| 150 | T | B | -0.7053 | |
| 151 | V | B | 0.0000 | |
| 152 | L | B | 0.0000 | |
| 153 | K | B | 0.0000 | |
| 154 | S | B | 0.0000 | |
| 155 | T | B | -1.0328 | |
| 156 | N | B | -1.5522 | |
| 157 | S | B | 0.0000 | |
| 158 | Q | B | -0.6474 | |
| 159 | F | B | -0.2819 | |
| 160 | W | B | -0.1462 | |
| 161 | G | B | -0.4362 | |
| 162 | F | B | 0.0000 | |
| 163 | L | B | -0.4022 | |
| 164 | R | B | -1.9793 | |
| 165 | D | B | -1.9205 | |
| 166 | E | B | -2.5292 | |
| 167 | Y | B | 0.0000 | |
| 168 | T | B | -1.3323 | |
| 169 | T | B | -1.0607 | |
| 170 | L | B | -1.0537 | |
| 171 | K | B | -2.2541 | |
| 172 | E | B | -1.9050 | |
| 173 | T | B | -1.0184 | |
| 174 | W | B | -0.0685 | |
| 175 | D | B | -1.9524 | |
| 176 | R | B | -1.0580 | |
| 177 | I | B | -0.3004 | |
| 178 | L | B | 0.0000 | |
| 179 | S | B | 0.0000 | |
| 180 | T | B | 0.0000 | |
| 181 | D | B | -0.8620 | |
| 182 | V | B | 0.0000 | |
| 183 | D | B | -1.4337 | |
| 184 | A | B | 0.0000 | |
| 185 | T | B | -0.9212 | |
| 186 | W | B | 0.0000 | |
| 187 | Q | B | -1.9251 | |
| 188 | W | B | 0.0000 | |
| 189 | K | B | -2.3122 | |
| 190 | N | B | -2.3326 | |
| 191 | F | B | 0.0000 | |
| 192 | S | B | -1.3739 | |
| 193 | G | B | -1.4474 | |
| 194 | L | B | -0.9172 | |
| 195 | Q | B | -1.9789 | |
| 196 | E | B | -1.6754 | |
| 197 | V | B | 0.0000 | |
| 198 | R | B | -2.3333 | |
| 199 | S | B | -1.5967 | |
| 200 | H | B | -1.0934 | |
| 201 | V | B | -0.9350 | |
| 202 | P | B | -0.9886 | |
| 203 | K | B | -0.8573 | |
| 204 | F | B | 0.0000 | |
| 205 | D | B | -1.4680 | |
| 206 | A | B | -0.7634 | |
| 207 | T | B | 0.0000 | |
| 208 | W | B | -0.6217 | |
| 209 | A | B | -0.6545 | |
| 210 | T | B | -0.9214 | |
| 211 | A | B | 0.0000 | |
| 212 | R | B | -0.8281 | |
| 213 | E | B | -1.3015 | |
| 214 | V | B | 0.0000 | |
| 215 | T | B | 0.0000 | |
| 216 | L | B | -1.1394 | |
| 217 | K | B | -1.9403 | |
| 218 | T | B | 0.0000 | |
| 219 | F | B | 0.0000 | |
| 220 | A | B | 0.0000 | |
| 221 | E | B | -2.5449 | |
| 222 | D | B | -2.1390 | |
| 223 | N | B | -2.0439 | |
| 224 | S | B | -0.8894 | |
| 225 | A | B | -0.3287 | |
| 226 | S | B | 0.0000 | |
| 227 | V | B | 0.0676 | |
| 228 | Q | B | 0.0000 | |
| 229 | A | B | 0.0000 | |
| 230 | T | B | 0.0000 | |
| 231 | M | B | 0.0000 | |
| 232 | Y | B | -1.2688 | |
| 233 | K | B | -1.6880 | |
| 234 | M | B | 0.0000 | |
| 235 | A | B | 0.0000 | |
| 236 | E | B | -2.2954 | |
| 237 | Q | B | -1.9811 | |
| 238 | I | B | 0.0000 | |
| 239 | L | B | 0.0000 | |
| 240 | A | B | -1.7516 | |
| 241 | R | B | -2.4174 | |
| 242 | Q | B | 0.0000 | |
| 243 | Q | B | -1.9396 | |
| 244 | L | B | -1.5817 | |
| 245 | I | B | 0.0000 | |
| 246 | E | B | -2.6467 | |
| 247 | T | B | -1.9721 | |
| 248 | V | B | 0.0000 | |
| 249 | E | B | -1.5219 | |
| 250 | Y | B | 0.0000 | |
| 251 | S | B | -0.9146 | |
| 252 | L | B | 0.0000 | |
| 253 | P | B | -0.5823 | |
| 254 | N | B | 0.0000 | |
| 255 | K | B | -0.8521 | |
| 256 | H | B | -0.3580 | |
| 257 | Y | B | 0.2277 | |
| 258 | F | B | 0.5601 | |
| 259 | E | B | -1.4141 | |
| 260 | I | B | -1.1988 | |
| 261 | D | B | -2.1100 | |
| 262 | L | B | 0.0000 | |
| 263 | S | B | -1.2010 | |
| 264 | W | B | -0.5631 | |
| 265 | H | B | 0.0000 | |
| 266 | K | B | -1.9793 | |
| 267 | G | B | -1.5322 | |
| 268 | L | B | -1.5507 | |
| 269 | Q | B | -2.1553 | |
| 270 | N | B | 0.0000 | |
| 271 | T | B | -1.9269 | |
| 272 | G | B | -2.2933 | |
| 273 | K | B | -2.5826 | |
| 274 | N | B | -1.9892 | |
| 275 | A | B | -1.7460 | |
| 276 | E | B | -1.7382 | |
| 277 | V | B | 0.0000 | |
| 278 | F | B | -0.2281 | |
| 279 | A | B | 0.1169 | |
| 280 | P | B | 0.0000 | |
| 281 | Q | B | -0.4089 | |
| 282 | S | B | -0.7923 | |
| 283 | D | B | -0.9945 | |
| 284 | P | B | -0.9929 | |
| 285 | N | B | -0.8714 | |
| 286 | G | B | 0.0000 | |
| 287 | L | B | -0.2765 | |
| 288 | I | B | 0.0000 | |
| 289 | K | B | -0.8799 | |
| 290 | C | B | 0.0000 | |
| 291 | T | B | -1.0615 | |
| 292 | V | B | 0.0000 | |
| 293 | G | B | 0.0000 | |
| 294 | R | B | -1.5590 | |
| 295 | S | B | -0.6974 | |
| 2 | A | C | -0.9247 | |
| 3 | V | C | -1.0877 | |
| 4 | K | C | -1.9658 | |
| 5 | A | C | -1.3154 | |
| 6 | A | C | -1.5291 | |
| 7 | R | C | -1.1715 | |
| 8 | Y | C | 0.0000 | |
| 9 | G | C | 0.0000 | |
| 10 | K | C | 0.0000 | |
| 11 | D | C | -0.9459 | |
| 12 | N | C | -1.0815 | |
| 13 | V | C | 0.0000 | |
| 14 | R | C | -0.6900 | |
| 15 | V | C | 0.0000 | |
| 16 | Y | C | 0.0000 | |
| 17 | K | C | 0.0000 | |
| 18 | V | C | 0.0000 | |
| 19 | H | C | -1.2391 | |
| 20 | K | C | -2.1699 | |
| 21 | D | C | -2.5439 | |
| 22 | E | C | -3.2172 | |
| 23 | K | C | -2.8728 | |
| 24 | T | C | -1.6329 | |
| 25 | G | C | -1.5267 | |
| 26 | V | C | -0.6315 | |
| 27 | Q | C | 0.0000 | |
| 28 | T | C | -0.3621 | |
| 29 | V | C | 0.0000 | |
| 30 | Y | C | 0.1671 | |
| 31 | E | C | 0.0000 | |
| 32 | M | C | 0.0000 | |
| 33 | T | C | -0.3899 | |
| 34 | V | C | 0.0000 | |
| 35 | C | C | -0.6002 | |
| 36 | V | C | 0.0000 | |
| 37 | L | C | 0.0000 | |
| 38 | L | C | 0.0000 | |
| 39 | E | C | -1.4109 | |
| 40 | G | C | -1.9604 | |
| 41 | E | C | -2.5388 | |
| 42 | I | C | 0.0000 | |
| 43 | E | C | -2.2086 | |
| 44 | T | C | -1.6326 | |
| 45 | S | C | 0.0000 | |
| 46 | Y | C | 0.0000 | |
| 47 | T | C | -1.3305 | |
| 48 | K | C | -2.0487 | |
| 49 | A | C | -1.1992 | |
| 50 | D | C | -1.2089 | |
| 51 | N | C | 0.0000 | |
| 52 | S | C | -0.3553 | |
| 53 | V | C | -0.5525 | |
| 54 | I | C | 0.0000 | |
| 55 | V | C | 0.0000 | |
| 56 | A | C | 0.0000 | |
| 57 | T | C | -0.3681 | |
| 58 | D | C | -0.6006 | |
| 59 | S | C | 0.0000 | |
| 60 | I | C | 0.0000 | |
| 61 | K | C | -0.7003 | |
| 62 | N | C | 0.0000 | |
| 63 | T | C | 0.0000 | |
| 64 | I | C | 0.0000 | |
| 65 | Y | C | 0.0000 | |
| 66 | I | C | 0.0000 | |
| 67 | T | C | 0.0000 | |
| 68 | A | C | 0.0000 | |
| 69 | K | C | -1.1624 | |
| 70 | Q | C | -1.5427 | |
| 71 | N | C | -1.0396 | |
| 72 | P | C | -0.6611 | |
| 73 | V | C | 0.0000 | |
| 74 | T | C | -0.2000 | |
| 75 | P | C | 0.0000 | |
| 76 | P | C | 0.0000 | |
| 77 | E | C | 0.0000 | |
| 78 | L | C | 0.0000 | |
| 79 | F | C | 0.0000 | |
| 80 | G | C | 0.0000 | |
| 81 | S | C | 0.0000 | |
| 82 | I | C | -0.0401 | |
| 83 | L | C | 0.0000 | |
| 84 | G | C | 0.0000 | |
| 85 | T | C | -0.6849 | |
| 86 | H | C | -0.9469 | |
| 87 | F | C | 0.0000 | |
| 88 | I | C | -1.6718 | |
| 89 | E | C | -2.7620 | |
| 90 | K | C | -2.1737 | |
| 91 | Y | C | 0.0000 | |
| 92 | N | C | -2.2024 | |
| 93 | H | C | -1.7915 | |
| 94 | I | C | 0.0000 | |
| 95 | H | C | -1.7379 | |
| 96 | A | C | 0.0000 | |
| 97 | A | C | 0.0000 | |
| 98 | H | C | -0.6449 | |
| 99 | V | C | 0.0000 | |
| 100 | N | C | -0.8822 | |
| 101 | I | C | 0.0000 | |
| 102 | V | C | -0.1200 | |
| 103 | C | C | -0.0653 | |
| 104 | H | C | -0.6807 | |
| 105 | R | C | -0.9124 | |
| 106 | W | C | 0.0000 | |
| 107 | T | C | -0.6595 | |
| 108 | R | C | -1.2239 | |
| 109 | M | C | 0.0000 | |
| 110 | D | C | -3.2614 | |
| 111 | I | C | 0.0000 | |
| 112 | D | C | -3.3480 | |
| 113 | G | C | -2.7800 | |
| 114 | K | C | -3.2544 | |
| 115 | P | C | -2.2356 | |
| 116 | H | C | 0.0000 | |
| 117 | P | C | -0.6130 | |
| 118 | H | C | -0.4916 | |
| 119 | S | C | 0.0000 | |
| 120 | F | C | 0.0000 | |
| 121 | I | C | -0.4238 | |
| 122 | R | C | -1.2456 | |
| 123 | D | C | -1.3990 | |
| 124 | S | C | 0.0000 | |
| 125 | E | C | -2.6283 | |
| 126 | E | C | 0.0000 | |
| 127 | K | C | -0.9782 | |
| 128 | R | C | -0.3786 | |
| 129 | N | C | -0.4581 | |
| 130 | V | C | 0.0000 | |
| 131 | Q | C | -1.0772 | |
| 132 | V | C | 0.0000 | |
| 133 | D | C | -1.2445 | |
| 134 | V | C | 0.0000 | |
| 135 | V | C | -1.3727 | |
| 136 | E | C | -2.4971 | |
| 137 | G | C | -2.1177 | |
| 138 | K | C | -2.7470 | |
| 139 | G | C | -2.0134 | |
| 140 | I | C | 0.0000 | |
| 141 | D | C | -2.2143 | |
| 142 | I | C | 0.0000 | |
| 143 | K | C | -1.6757 | |
| 144 | S | C | 0.0000 | |
| 145 | S | C | -0.7199 | |
| 146 | L | C | 0.0000 | |
| 147 | S | C | -0.9738 | |
| 148 | G | C | -1.2347 | |
| 149 | L | C | 0.0000 | |
| 150 | T | C | -0.7610 | |
| 151 | V | C | 0.0000 | |
| 152 | L | C | 0.0000 | |
| 153 | K | C | 0.0000 | |
| 154 | S | C | -0.5904 | |
| 155 | T | C | -0.9525 | |
| 156 | N | C | -1.5447 | |
| 157 | S | C | 0.0000 | |
| 158 | Q | C | -0.6067 | |
| 159 | F | C | -0.1871 | |
| 160 | W | C | 0.0753 | |
| 161 | G | C | -0.4011 | |
| 162 | F | C | 0.0000 | |
| 163 | L | C | -0.4471 | |
| 164 | R | C | -1.8329 | |
| 165 | D | C | -1.3607 | |
| 166 | E | C | -1.3626 | |
| 167 | Y | C | -0.8010 | |
| 168 | T | C | -0.9511 | |
| 169 | T | C | -0.8279 | |
| 170 | L | C | -0.9890 | |
| 171 | K | C | -2.0279 | |
| 172 | E | C | -1.5388 | |
| 173 | T | C | -0.8165 | |
| 174 | W | C | 0.0046 | |
| 175 | D | C | -1.9491 | |
| 176 | R | C | -1.0591 | |
| 177 | I | C | -0.4545 | |
| 178 | L | C | 0.0000 | |
| 179 | S | C | 0.0000 | |
| 180 | T | C | 0.0000 | |
| 181 | D | C | -0.9031 | |
| 182 | V | C | 0.0000 | |
| 183 | D | C | -1.2679 | |
| 184 | A | C | 0.0000 | |
| 185 | T | C | -0.9405 | |
| 186 | W | C | 0.0000 | |
| 187 | Q | C | -2.0242 | |
| 188 | W | C | 0.0000 | |
| 189 | K | C | -2.4946 | |
| 190 | N | C | -2.7765 | |
| 191 | F | C | 0.0000 | |
| 192 | S | C | -1.6118 | |
| 193 | G | C | -1.6218 | |
| 194 | L | C | -1.1644 | |
| 195 | Q | C | -2.2472 | |
| 196 | E | C | -2.2318 | |
| 197 | V | C | 0.0000 | |
| 198 | R | C | -2.4566 | |
| 199 | S | C | -1.7455 | |
| 200 | H | C | -1.2765 | |
| 201 | V | C | -1.0466 | |
| 202 | P | C | -1.1081 | |
| 203 | K | C | -1.1838 | |
| 204 | F | C | 0.0000 | |
| 205 | D | C | -1.6039 | |
| 206 | A | C | -0.9326 | |
| 207 | T | C | 0.0000 | |
| 208 | W | C | -0.7900 | |
| 209 | A | C | -0.8903 | |
| 210 | T | C | -1.1206 | |
| 211 | A | C | 0.0000 | |
| 212 | R | C | -1.0809 | |
| 213 | E | C | -2.0579 | |
| 214 | V | C | -1.3173 | |
| 215 | T | C | 0.0000 | |
| 216 | L | C | -1.2871 | |
| 217 | K | C | -2.2036 | |
| 218 | T | C | -1.6875 | |
| 219 | F | C | 0.0000 | |
| 220 | A | C | 0.0000 | |
| 221 | E | C | -2.4999 | |
| 222 | D | C | -2.1065 | |
| 223 | N | C | -2.0152 | |
| 224 | S | C | -0.9215 | |
| 225 | A | C | -0.3410 | |
| 226 | S | C | 0.0000 | |
| 227 | V | C | 0.0000 | |
| 228 | Q | C | 0.0000 | |
| 229 | A | C | 0.0000 | |
| 230 | T | C | 0.0000 | |
| 231 | M | C | 0.0000 | |
| 232 | Y | C | 0.0000 | |
| 233 | K | C | -1.9727 | |
| 234 | M | C | 0.0000 | |
| 235 | A | C | 0.0000 | |
| 236 | E | C | -2.5602 | |
| 237 | Q | C | -1.9115 | |
| 238 | I | C | 0.0000 | |
| 239 | L | C | 0.0000 | |
| 240 | A | C | -1.8012 | |
| 241 | R | C | -2.4457 | |
| 242 | Q | C | -1.8972 | |
| 243 | Q | C | -1.9851 | |
| 244 | L | C | -1.6764 | |
| 245 | I | C | 0.0000 | |
| 246 | E | C | -2.4804 | |
| 247 | T | C | 0.0000 | |
| 248 | V | C | 0.0000 | |
| 249 | E | C | -1.5939 | |
| 250 | Y | C | 0.0000 | |
| 251 | S | C | -0.8698 | |
| 252 | L | C | 0.0000 | |
| 253 | P | C | -0.6517 | |
| 254 | N | C | -0.7021 | |
| 255 | K | C | -0.9152 | |
| 256 | H | C | -0.4092 | |
| 257 | Y | C | 0.3047 | |
| 258 | F | C | 0.6852 | |
| 259 | E | C | -0.6500 | |
| 260 | I | C | -0.9357 | |
| 261 | D | C | -1.8924 | |
| 262 | L | C | 0.0000 | |
| 263 | S | C | -1.2114 | |
| 264 | W | C | -0.7174 | |
| 265 | H | C | 0.0000 | |
| 266 | K | C | -2.2000 | |
| 267 | G | C | -1.3901 | |
| 268 | L | C | -1.6620 | |
| 269 | Q | C | -2.3532 | |
| 270 | N | C | 0.0000 | |
| 271 | T | C | -1.9654 | |
| 272 | G | C | -2.4024 | |
| 273 | K | C | -2.9674 | |
| 274 | N | C | -2.5357 | |
| 275 | A | C | 0.0000 | |
| 276 | E | C | -1.7556 | |
| 277 | V | C | 0.0000 | |
| 278 | F | C | 0.0020 | |
| 279 | A | C | 0.2525 | |
| 280 | P | C | 0.0000 | |
| 281 | Q | C | -0.4459 | |
| 282 | S | C | -0.8140 | |
| 283 | D | C | -1.0805 | |
| 284 | P | C | -1.0542 | |
| 285 | N | C | -0.9387 | |
| 286 | G | C | 0.0000 | |
| 287 | L | C | -0.3735 | |
| 288 | I | C | 0.0000 | |
| 289 | K | C | -0.9015 | |
| 290 | C | C | 0.0000 | |
| 291 | T | C | -1.0665 | |
| 292 | V | C | 0.0000 | |
| 293 | G | C | 0.0000 | |
| 294 | R | C | -1.8370 | |
| 295 | S | C | -0.8189 | |
| 296 | S | C | -0.2570 | |
| 297 | L | C | 0.4158 | |
| 298 | K | C | -1.0413 | |
| 2 | A | D | -0.9996 | |
| 3 | V | D | -1.0726 | |
| 4 | K | D | -2.0174 | |
| 5 | A | D | -1.3673 | |
| 6 | A | D | -1.5605 | |
| 7 | R | D | -1.3022 | |
| 8 | Y | D | 0.0000 | |
| 9 | G | D | 0.0000 | |
| 10 | K | D | 0.0000 | |
| 11 | D | D | -0.8424 | |
| 12 | N | D | -1.0180 | |
| 13 | V | D | 0.0000 | |
| 14 | R | D | -0.6583 | |
| 15 | V | D | 0.0000 | |
| 16 | Y | D | 0.0000 | |
| 17 | K | D | 0.0000 | |
| 18 | V | D | -0.8429 | |
| 19 | H | D | -2.0723 | |
| 20 | K | D | -3.1908 | |
| 21 | D | D | -3.0422 | |
| 22 | E | D | -3.5613 | |
| 23 | K | D | -3.0472 | |
| 24 | T | D | -1.8060 | |
| 25 | G | D | -1.8380 | |
| 26 | V | D | -1.1236 | |
| 27 | Q | D | 0.0000 | |
| 28 | T | D | -0.7371 | |
| 29 | V | D | 0.0000 | |
| 30 | Y | D | 0.1305 | |
| 31 | E | D | 0.0000 | |
| 32 | M | D | 0.0000 | |
| 33 | T | D | -0.3566 | |
| 34 | V | D | 0.0000 | |
| 35 | C | D | -0.5211 | |
| 36 | V | D | 0.0000 | |
| 37 | L | D | -0.4401 | |
| 38 | L | D | 0.0000 | |
| 39 | E | D | -1.5018 | |
| 40 | G | D | -1.9861 | |
| 41 | E | D | -2.6886 | |
| 42 | I | D | 0.0000 | |
| 43 | E | D | -2.7615 | |
| 44 | T | D | -1.8646 | |
| 45 | S | D | 0.0000 | |
| 46 | Y | D | 0.0000 | |
| 47 | T | D | -1.5339 | |
| 48 | K | D | -2.1334 | |
| 49 | A | D | -1.2505 | |
| 50 | D | D | -1.3122 | |
| 51 | N | D | 0.0000 | |
| 52 | S | D | -0.3109 | |
| 53 | V | D | -0.5137 | |
| 54 | I | D | 0.0000 | |
| 55 | V | D | 0.0000 | |
| 56 | A | D | 0.0000 | |
| 57 | T | D | -0.3196 | |
| 58 | D | D | -0.5501 | |
| 59 | S | D | 0.0000 | |
| 60 | I | D | 0.0000 | |
| 61 | K | D | -0.6941 | |
| 62 | N | D | -0.4035 | |
| 63 | T | D | 0.0000 | |
| 64 | I | D | 0.0000 | |
| 65 | Y | D | 0.0000 | |
| 66 | I | D | 0.0000 | |
| 67 | T | D | 0.0000 | |
| 68 | A | D | 0.0000 | |
| 69 | K | D | -1.1174 | |
| 70 | Q | D | -1.5129 | |
| 71 | N | D | -1.0166 | |
| 72 | P | D | -0.7053 | |
| 73 | V | D | 0.0000 | |
| 74 | T | D | -0.2318 | |
| 75 | P | D | 0.0000 | |
| 76 | P | D | 0.0000 | |
| 77 | E | D | 0.0000 | |
| 78 | L | D | 0.0000 | |
| 79 | F | D | 0.0000 | |
| 80 | G | D | 0.0000 | |
| 81 | S | D | 0.0000 | |
| 82 | I | D | -0.0365 | |
| 83 | L | D | 0.0000 | |
| 84 | G | D | 0.0000 | |
| 85 | T | D | -0.7501 | |
| 86 | H | D | -0.9584 | |
| 87 | F | D | 0.0000 | |
| 88 | I | D | -1.6949 | |
| 89 | E | D | -2.7869 | |
| 90 | K | D | -2.2058 | |
| 91 | Y | D | 0.0000 | |
| 92 | N | D | -2.2076 | |
| 93 | H | D | -1.8231 | |
| 94 | I | D | 0.0000 | |
| 95 | H | D | -1.7562 | |
| 96 | A | D | 0.0000 | |
| 97 | A | D | 0.0000 | |
| 98 | H | D | -0.5943 | |
| 99 | V | D | 0.0000 | |
| 100 | N | D | -0.8449 | |
| 101 | I | D | 0.0000 | |
| 102 | V | D | -0.0746 | |
| 103 | C | D | -0.0511 | |
| 104 | H | D | -0.6232 | |
| 105 | R | D | -0.8797 | |
| 106 | W | D | 0.0000 | |
| 107 | T | D | -0.6439 | |
| 108 | R | D | -0.9146 | |
| 109 | M | D | 0.0000 | |
| 110 | D | D | -2.5753 | |
| 111 | I | D | -1.8779 | |
| 113 | G | D | -1.7847 | |
| 114 | K | D | -2.4922 | |
| 115 | P | D | -1.7955 | |
| 116 | H | D | 0.0000 | |
| 117 | P | D | -0.7401 | |
| 118 | H | D | -0.6504 | |
| 119 | S | D | 0.0000 | |
| 120 | F | D | 0.0000 | |
| 121 | I | D | -0.4427 | |
| 122 | R | D | -1.2386 | |
| 123 | D | D | -1.3719 | |
| 124 | S | D | 0.0000 | |
| 125 | E | D | -2.3617 | |
| 126 | E | D | 0.0000 | |
| 127 | K | D | -0.9225 | |
| 128 | R | D | -0.4628 | |
| 129 | N | D | -0.4419 | |
| 130 | V | D | 0.0000 | |
| 131 | Q | D | -0.9997 | |
| 132 | V | D | 0.0000 | |
| 133 | D | D | -1.0067 | |
| 134 | V | D | 0.0000 | |
| 135 | V | D | -1.3297 | |
| 136 | E | D | -2.6328 | |
| 137 | G | D | -2.1189 | |
| 138 | K | D | -2.7297 | |
| 139 | G | D | -1.9005 | |
| 140 | I | D | 0.0000 | |
| 141 | D | D | -1.7904 | |
| 142 | I | D | 0.0000 | |
| 143 | K | D | -1.3932 | |
| 144 | S | D | 0.0000 | |
| 145 | S | D | -0.6811 | |
| 146 | L | D | 0.0000 | |
| 147 | S | D | -0.9682 | |
| 148 | G | D | -1.1948 | |
| 149 | L | D | 0.0000 | |
| 150 | T | D | -0.7455 | |
| 151 | V | D | 0.0000 | |
| 152 | L | D | 0.0000 | |
| 153 | K | D | 0.0000 | |
| 154 | S | D | 0.0000 | |
| 155 | T | D | -0.9075 | |
| 156 | N | D | -1.7044 | |
| 157 | S | D | 0.0000 | |
| 158 | Q | D | -0.6451 | |
| 159 | F | D | -0.0655 | |
| 160 | W | D | 0.2390 | |
| 161 | G | D | -0.3137 | |
| 162 | F | D | 0.0000 | |
| 163 | L | D | -0.5541 | |
| 164 | R | D | -1.9419 | |
| 165 | D | D | -1.4591 | |
| 166 | E | D | -1.5195 | |
| 167 | Y | D | -0.8640 | |
| 168 | T | D | 0.0000 | |
| 169 | T | D | -0.7726 | |
| 170 | L | D | -0.8258 | |
| 171 | K | D | -1.7288 | |
| 172 | E | D | -1.2160 | |
| 173 | T | D | -0.6622 | |
| 174 | W | D | -0.0230 | |
| 175 | D | D | -1.6678 | |
| 176 | R | D | -1.0612 | |
| 177 | I | D | -0.4582 | |
| 178 | L | D | 0.0000 | |
| 179 | S | D | 0.0000 | |
| 180 | T | D | 0.0000 | |
| 181 | D | D | -0.8913 | |
| 182 | V | D | 0.0000 | |
| 183 | D | D | -1.2869 | |
| 184 | A | D | 0.0000 | |
| 185 | T | D | -0.8951 | |
| 186 | W | D | 0.0000 | |
| 187 | Q | D | -1.7053 | |
| 188 | W | D | 0.0000 | |
| 189 | K | D | -2.6042 | |
| 190 | N | D | -2.6231 | |
| 191 | F | D | 0.0000 | |
| 192 | S | D | -1.5215 | |
| 193 | G | D | -1.4626 | |
| 194 | L | D | -0.9359 | |
| 195 | Q | D | -1.9042 | |
| 196 | E | D | -1.6885 | |
| 197 | V | D | 0.0000 | |
| 198 | R | D | -1.9023 | |
| 199 | S | D | -1.3730 | |
| 200 | H | D | -1.0220 | |
| 201 | V | D | -0.8263 | |
| 202 | P | D | -0.9858 | |
| 203 | K | D | -1.0373 | |
| 204 | F | D | 0.0000 | |
| 205 | D | D | -1.6691 | |
| 206 | A | D | -0.8960 | |
| 207 | T | D | 0.0000 | |
| 208 | W | D | -0.8090 | |
| 209 | A | D | -0.8864 | |
| 210 | T | D | -1.1774 | |
| 211 | A | D | 0.0000 | |
| 212 | R | D | -1.0870 | |
| 213 | E | D | -2.0406 | |
| 214 | V | D | 0.0000 | |
| 215 | T | D | 0.0000 | |
| 216 | L | D | -1.2777 | |
| 217 | K | D | -2.2281 | |
| 218 | T | D | -1.7000 | |
| 219 | F | D | 0.0000 | |
| 220 | A | D | 0.0000 | |
| 221 | E | D | -2.5569 | |
| 222 | D | D | -2.1576 | |
| 223 | N | D | -2.1389 | |
| 224 | S | D | -0.9740 | |
| 225 | A | D | -0.3886 | |
| 226 | S | D | 0.0000 | |
| 227 | V | D | 0.0000 | |
| 228 | Q | D | 0.0000 | |
| 229 | A | D | 0.0000 | |
| 230 | T | D | 0.0000 | |
| 231 | M | D | 0.0000 | |
| 232 | Y | D | -1.0431 | |
| 233 | K | D | -1.5260 | |
| 234 | M | D | 0.0000 | |
| 235 | A | D | 0.0000 | |
| 236 | E | D | -2.0090 | |
| 237 | Q | D | -1.8602 | |
| 238 | I | D | 0.0000 | |
| 239 | L | D | 0.0000 | |
| 240 | A | D | -1.7804 | |
| 241 | R | D | -2.4815 | |
| 242 | Q | D | -1.9167 | |
| 243 | Q | D | -2.1496 | |
| 244 | L | D | 0.0000 | |
| 245 | I | D | 0.0000 | |
| 246 | E | D | -2.4472 | |
| 247 | T | D | -1.7689 | |
| 248 | V | D | 0.0000 | |
| 249 | E | D | -1.5352 | |
| 250 | Y | D | 0.0000 | |
| 251 | S | D | -0.9072 | |
| 252 | L | D | 0.0000 | |
| 253 | P | D | -0.6656 | |
| 254 | N | D | -0.7594 | |
| 255 | K | D | -0.9780 | |
| 256 | H | D | -0.5096 | |
| 257 | Y | D | 0.1484 | |
| 258 | F | D | 0.4406 | |
| 259 | E | D | -1.5803 | |
| 260 | I | D | -1.3363 | |
| 261 | D | D | -2.2028 | |
| 262 | L | D | 0.0000 | |
| 263 | S | D | -1.3461 | |
| 264 | W | D | -0.6631 | |
| 265 | H | D | 0.0000 | |
| 266 | K | D | -2.0449 | |
| 267 | G | D | -1.6495 | |
| 268 | L | D | -1.6978 | |
| 269 | Q | D | -2.3955 | |
| 270 | N | D | 0.0000 | |
| 271 | T | D | -2.1630 | |
| 272 | G | D | -2.4865 | |
| 273 | K | D | -2.8058 | |
| 274 | N | D | -2.5437 | |
| 275 | A | D | 0.0000 | |
| 276 | E | D | -1.9728 | |
| 277 | V | D | 0.0000 | |
| 278 | F | D | -0.3235 | |
| 279 | A | D | 0.1035 | |
| 280 | P | D | 0.0000 | |
| 281 | Q | D | -0.4513 | |
| 282 | S | D | -0.8564 | |
| 283 | D | D | -1.1526 | |
| 284 | P | D | -1.1290 | |
| 285 | N | D | -1.0153 | |
| 286 | G | D | 0.0000 | |
| 287 | L | D | -0.4804 | |
| 288 | I | D | 0.0000 | |
| 289 | K | D | -1.0225 | |
| 290 | C | D | 0.0000 | |
| 291 | T | D | -1.1284 | |
| 292 | V | D | 0.0000 | |
| 293 | G | D | 0.0000 | |
| 294 | R | D | -1.8570 | |
| 295 | S | D | -0.8454 |
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 | -0.6878 | 3.4477 | View | CSV | PDB |
| 4.5 | -0.7531 | 3.2374 | View | CSV | PDB |
| 5.0 | -0.8309 | 2.9969 | View | CSV | PDB |
| 5.5 | -0.907 | 2.7448 | View | CSV | PDB |
| 6.0 | -0.9662 | 2.4927 | View | CSV | PDB |
| 6.5 | -0.9982 | 2.2497 | View | CSV | PDB |
| 7.0 | -1.0027 | 2.0216 | View | CSV | PDB |
| 7.5 | -0.9881 | 1.8089 | View | CSV | PDB |
| 8.0 | -0.962 | 1.7434 | View | CSV | PDB |
| 8.5 | -0.9271 | 1.8111 | View | CSV | PDB |
| 9.0 | -0.8837 | 1.8868 | 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