| Chain sequence(s) |
A: LPNITILATGGTIAGGGDSATKSNYTAGKVGVENLVNAVPQLKDIANVKGEQVVNIGSQDMNDDVWLTLAKKINTDCDKTDGFVITHGTDTMEETAYFLDLTVKCDKPVVMVGAMRPSTSMSADGPFNLYNAVVTAADKASANRGVLVVMNDTVLDGRDVTKTNTTDVATFKSVNYGPLGYIHNGKIDYQRTPARKHTSDTPFDVSKLNELPKVGIVYNYANASDLPAKALVDAGYDGIVSAGVGNGNLYKTVFDTLATAAKNGTAVVRSSRVPTGATTQDAEVDDAKYGFVASGTLNPQKARVLLQLALTQTKDPQQIQQIFNQY
C: LPNITILATGGTIAGGGDSATKSNYTAGKVGVENLVNAVPQLKDIANVKGEQVVNIGSQDMNDDVWLTLAKKINTDCDKTDGFVITHGTDTMEETAYFLDLTVKCDKPVVMVGAMRPSTSMSADGPFNLYNAVVTAADKASANRGVLVVMNDTVLDGRDVTKTNTTDVATFKSVNYGPLGYIHNGKIDYQRTPARKHTSDTPFDVSKLNELPKVGIVYNYANASDLPAKALVDAGYDGIVSAGVGNGNLYKTVFDTLATAAKNGTAVVRSSRVPTGATTQDAEVDDAKYGFVASGTLNPQKARVLLQLALTQTKDPQQIQQIFNQY B: LPNITILATGGTIAGGGDSATKSNYTAGKVGVENLVNAVPQLKDIANVKGEQVVNIGSQDMNDDVWLTLAKKINTDCDKTDGFVITHGTDTMEETAYFLDLTVKCDKPVVMVGAMRPSTSMSADGPFNLYNAVVTAADKASANRGVLVVMNDTVLDGRDVTKTNTTDVATFKSVNYGPLGYIHNGKIDYQRTPARKHTSDTPFDVSKLNELPKVGIVYNYANASDLPAKALVDAGYDGIVSAGVGNGNLYKTVFDTLATAAKNGTAVVRSSRVPTGATTQDAEVDDAKYGFVASGTLNPQKARVLLQLALTQTKDPQQIQQIFNQY D: LPNITILATGGTIAGGGDSATKSNYTAGKVGVENLVNAVPQLKDIANVKGEQVVNIGSQDMNDDVWLTLAKKINTDCDKTDGFVITHGTDTMEETAYFLDLTVKCDKPVVMVGAMRPSTSMSADGPFNLYNAVVTAADKASANRGVLVVMNDTVLDGRDVTKTNTTDVATFKSVNYGPLGYIHNGKIDYQRTPARKHTSDTPFDVSKLNELPKVGIVYNYANASDLPAKALVDAGYDGIVSAGVGNGNLYKTVFDTLATAAKNGTAVVRSSRVPTGATTQDAEVDDAKYGFVASGTLNPQKARVLLQLALTQTKDPQQIQQIFNQY 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:06)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:19:47)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d62a0730f9c0dd1/tmp/folded.pdb (00:19:47)
[INFO] Main: Simulation completed successfully. (00:31:03)
|
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 | L | A | 0.7598 | |
| 2 | P | A | 0.1261 | |
| 3 | N | A | -1.1260 | |
| 4 | I | A | 0.0000 | |
| 5 | T | A | -1.6076 | |
| 6 | I | A | 0.0000 | |
| 7 | L | A | 0.0000 | |
| 8 | A | A | 0.0000 | |
| 9 | T | A | 0.0000 | |
| 10 | G | A | 0.0000 | |
| 11 | G | A | 0.0000 | |
| 12 | T | A | 0.0000 | |
| 13 | I | A | 0.0000 | |
| 14 | A | A | 0.0000 | |
| 15 | G | A | 0.0000 | |
| 16 | G | A | 0.0000 | |
| 17 | G | A | -1.6253 | |
| 18 | D | A | -2.2054 | |
| 19 | S | A | -1.4393 | |
| 20 | A | A | -0.8327 | |
| 21 | T | A | -1.0557 | |
| 22 | K | A | -1.9900 | |
| 23 | S | A | -1.7379 | |
| 24 | N | A | -2.1605 | |
| 25 | Y | A | -1.2874 | |
| 26 | T | A | -0.8035 | |
| 27 | A | A | -0.7166 | |
| 28 | G | A | 0.0000 | |
| 29 | K | A | -1.8815 | |
| 30 | V | A | -1.4734 | |
| 31 | G | A | -1.8333 | |
| 32 | V | A | 0.0000 | |
| 33 | E | A | -3.2619 | |
| 34 | N | A | -2.4854 | |
| 35 | L | A | 0.0000 | |
| 36 | V | A | -1.8514 | |
| 37 | N | A | -2.3526 | |
| 38 | A | A | -1.1931 | |
| 39 | V | A | 0.0000 | |
| 40 | P | A | -1.4158 | |
| 41 | Q | A | -1.5597 | |
| 42 | L | A | 0.0000 | |
| 43 | K | A | -2.5826 | |
| 44 | D | A | -2.3864 | |
| 45 | I | A | -0.8303 | |
| 46 | A | A | 0.0000 | |
| 47 | N | A | -1.2854 | |
| 48 | V | A | -1.0920 | |
| 49 | K | A | -2.5069 | |
| 50 | G | A | -2.2925 | |
| 51 | E | A | -2.4509 | |
| 52 | Q | A | -1.4477 | |
| 53 | V | A | -0.4039 | |
| 54 | V | A | -0.2588 | |
| 55 | N | A | -1.2830 | |
| 56 | I | A | -0.5094 | |
| 57 | G | A | -0.6608 | |
| 58 | S | A | 0.0000 | |
| 59 | Q | A | -0.6541 | |
| 60 | D | A | -0.8968 | |
| 61 | M | A | 0.0000 | |
| 62 | N | A | -1.1706 | |
| 63 | D | A | -2.0322 | |
| 64 | D | A | -2.6107 | |
| 65 | V | A | 0.0000 | |
| 66 | W | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | T | A | -1.0638 | |
| 69 | L | A | 0.0000 | |
| 70 | A | A | 0.0000 | |
| 71 | K | A | -1.5545 | |
| 72 | K | A | -1.3165 | |
| 73 | I | A | 0.0000 | |
| 74 | N | A | -1.4480 | |
| 75 | T | A | -1.6223 | |
| 76 | D | A | -2.3544 | |
| 77 | C | A | -2.3465 | |
| 78 | D | A | -3.0497 | |
| 79 | K | A | -3.0240 | |
| 80 | T | A | 0.0000 | |
| 81 | D | A | -2.0475 | |
| 82 | G | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | V | A | 0.0000 | |
| 85 | I | A | 0.0000 | |
| 86 | T | A | 0.0000 | |
| 87 | H | A | 0.0000 | |
| 88 | G | A | 0.0000 | |
| 89 | T | A | 0.0000 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | 0.0000 | |
| 92 | M | A | 0.0000 | |
| 93 | E | A | 0.0000 | |
| 94 | E | A | 0.0000 | |
| 95 | T | A | 0.0000 | |
| 96 | A | A | 0.0000 | |
| 97 | Y | A | 0.0000 | |
| 98 | F | A | 0.0000 | |
| 99 | L | A | 0.0000 | |
| 100 | D | A | 0.0000 | |
| 101 | L | A | 0.0000 | |
| 102 | T | A | 0.0000 | |
| 103 | V | A | 0.0000 | |
| 104 | K | A | -1.4611 | |
| 105 | C | A | 0.0000 | |
| 106 | D | A | -1.4543 | |
| 107 | K | A | -1.8267 | |
| 108 | P | A | 0.0000 | |
| 109 | V | A | 0.0000 | |
| 110 | V | A | 0.0000 | |
| 111 | M | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | G | A | 0.0000 | |
| 114 | A | A | 0.0000 | |
| 115 | M | A | -0.1028 | |
| 116 | R | A | -0.2180 | |
| 117 | P | A | 0.0000 | |
| 118 | S | A | -0.4183 | |
| 119 | T | A | -0.5619 | |
| 120 | S | A | -0.5748 | |
| 121 | M | A | 0.0000 | |
| 122 | S | A | -0.0202 | |
| 123 | A | A | -0.0201 | |
| 124 | D | A | 0.0000 | |
| 125 | G | A | 0.0000 | |
| 126 | P | A | 0.0814 | |
| 127 | F | A | 0.1575 | |
| 128 | N | A | 0.0000 | |
| 129 | L | A | 0.0000 | |
| 130 | Y | A | 0.0000 | |
| 131 | N | A | 0.0000 | |
| 132 | A | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | V | A | 0.0000 | |
| 135 | T | A | 0.0000 | |
| 136 | A | A | 0.0000 | |
| 137 | A | A | -0.7738 | |
| 138 | D | A | -1.6983 | |
| 139 | K | A | -2.2606 | |
| 140 | A | A | -1.2994 | |
| 141 | S | A | 0.0000 | |
| 142 | A | A | -1.6688 | |
| 143 | N | A | -1.9065 | |
| 144 | R | A | -1.1452 | |
| 145 | G | A | -1.0149 | |
| 146 | V | A | 0.0000 | |
| 147 | L | A | 0.0000 | |
| 148 | V | A | 0.0000 | |
| 149 | V | A | 0.0000 | |
| 150 | M | A | 0.0000 | |
| 151 | N | A | -0.4087 | |
| 152 | D | A | -0.3671 | |
| 153 | T | A | -0.4048 | |
| 154 | V | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | D | A | 0.0000 | |
| 157 | G | A | 0.0000 | |
| 158 | R | A | 0.0000 | |
| 159 | D | A | 0.0000 | |
| 160 | V | A | 0.0000 | |
| 161 | T | A | 0.0000 | |
| 162 | K | A | 0.0000 | |
| 163 | T | A | 0.0000 | |
| 164 | N | A | -0.4638 | |
| 165 | T | A | 0.0000 | |
| 166 | T | A | -0.3564 | |
| 167 | D | A | -0.5302 | |
| 168 | V | A | 0.0000 | |
| 169 | A | A | -0.5405 | |
| 170 | T | A | 0.0000 | |
| 171 | F | A | 0.0000 | |
| 172 | K | A | -1.2873 | |
| 173 | S | A | 0.0000 | |
| 174 | V | A | -0.0953 | |
| 175 | N | A | 0.0000 | |
| 176 | Y | A | 0.0000 | |
| 177 | G | A | 0.0000 | |
| 178 | P | A | -0.2134 | |
| 179 | L | A | 0.0000 | |
| 180 | G | A | 0.0000 | |
| 181 | Y | A | -0.4018 | |
| 182 | I | A | 0.0000 | |
| 183 | H | A | -1.3667 | |
| 184 | N | A | -1.5940 | |
| 185 | G | A | -1.4094 | |
| 186 | K | A | -2.0826 | |
| 187 | I | A | -1.1746 | |
| 188 | D | A | -1.2553 | |
| 189 | Y | A | 0.0000 | |
| 190 | Q | A | 0.0000 | |
| 191 | R | A | 0.0000 | |
| 192 | T | A | -0.3314 | |
| 193 | P | A | 0.0000 | |
| 194 | A | A | -0.4568 | |
| 195 | R | A | -1.3106 | |
| 196 | K | A | -2.0034 | |
| 197 | H | A | -1.7375 | |
| 198 | T | A | 0.0000 | |
| 199 | S | A | -1.9311 | |
| 200 | D | A | -2.4106 | |
| 201 | T | A | 0.0000 | |
| 202 | P | A | -1.3311 | |
| 203 | F | A | 0.0000 | |
| 204 | D | A | -1.9899 | |
| 205 | V | A | 0.0000 | |
| 206 | S | A | -1.7184 | |
| 207 | K | A | -2.4183 | |
| 208 | L | A | -1.9834 | |
| 209 | N | A | -2.7595 | |
| 210 | E | A | -3.1624 | |
| 211 | L | A | 0.0000 | |
| 212 | P | A | -1.5272 | |
| 213 | K | A | -2.3388 | |
| 214 | V | A | 0.0000 | |
| 215 | G | A | 0.0000 | |
| 216 | I | A | 0.0000 | |
| 217 | V | A | 0.0000 | |
| 218 | Y | A | 0.0000 | |
| 219 | N | A | 0.0000 | |
| 220 | Y | A | 0.0000 | |
| 221 | A | A | 0.0000 | |
| 222 | N | A | -1.4022 | |
| 223 | A | A | 0.0000 | |
| 224 | S | A | -0.6355 | |
| 225 | D | A | -0.8504 | |
| 226 | L | A | -0.5236 | |
| 227 | P | A | 0.0000 | |
| 228 | A | A | 0.0000 | |
| 229 | K | A | -1.4581 | |
| 230 | A | A | -1.0555 | |
| 231 | L | A | 0.0000 | |
| 232 | V | A | -1.1142 | |
| 233 | D | A | -1.9129 | |
| 234 | A | A | -1.2175 | |
| 235 | G | A | -1.4119 | |
| 236 | Y | A | -1.2620 | |
| 237 | D | A | -1.6690 | |
| 238 | G | A | 0.0000 | |
| 239 | I | A | 0.0000 | |
| 240 | V | A | 0.0000 | |
| 241 | S | A | 0.0000 | |
| 242 | A | A | 0.0000 | |
| 243 | G | A | 0.0000 | |
| 244 | V | A | 0.0000 | |
| 245 | G | A | 0.0000 | |
| 246 | N | A | -0.3867 | |
| 247 | G | A | 0.0000 | |
| 248 | N | A | 0.0000 | |
| 249 | L | A | 0.0000 | |
| 250 | Y | A | 0.0000 | |
| 251 | K | A | -2.0778 | |
| 252 | T | A | -1.3878 | |
| 253 | V | A | 0.0000 | |
| 254 | F | A | -1.0453 | |
| 255 | D | A | -2.0724 | |
| 256 | T | A | -1.2157 | |
| 257 | L | A | 0.0000 | |
| 258 | A | A | -1.2985 | |
| 259 | T | A | -1.3427 | |
| 260 | A | A | 0.0000 | |
| 261 | A | A | -1.3389 | |
| 262 | K | A | -2.5938 | |
| 263 | N | A | -2.2674 | |
| 264 | G | A | -2.1979 | |
| 265 | T | A | -1.3989 | |
| 266 | A | A | -1.2223 | |
| 267 | V | A | 0.0000 | |
| 268 | V | A | 0.0000 | |
| 269 | R | A | 0.0000 | |
| 270 | S | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | R | A | -0.3341 | |
| 273 | V | A | 0.0000 | |
| 274 | P | A | -0.1781 | |
| 275 | T | A | -0.1236 | |
| 276 | G | A | -0.1773 | |
| 277 | A | A | 0.0000 | |
| 278 | T | A | 0.0000 | |
| 279 | T | A | -0.7687 | |
| 280 | Q | A | -1.6488 | |
| 281 | D | A | -2.1227 | |
| 282 | A | A | -1.5712 | |
| 283 | E | A | -1.3156 | |
| 284 | V | A | 0.0000 | |
| 285 | D | A | -2.7012 | |
| 286 | D | A | 0.0000 | |
| 287 | A | A | -1.6166 | |
| 288 | K | A | -2.2599 | |
| 289 | Y | A | -1.2506 | |
| 290 | G | A | -1.4170 | |
| 291 | F | A | 0.0000 | |
| 292 | V | A | 0.0000 | |
| 293 | A | A | 0.0000 | |
| 294 | S | A | 0.0000 | |
| 295 | G | A | -0.5919 | |
| 296 | T | A | -0.2796 | |
| 297 | L | A | 0.0000 | |
| 298 | N | A | -0.2567 | |
| 299 | P | A | 0.0000 | |
| 300 | Q | A | 0.0000 | |
| 301 | K | A | 0.0000 | |
| 302 | A | A | 0.0000 | |
| 303 | R | A | 0.0000 | |
| 304 | V | A | 0.0000 | |
| 305 | L | A | 0.0000 | |
| 306 | L | A | 0.0000 | |
| 307 | Q | A | 0.0000 | |
| 308 | L | A | 0.0000 | |
| 309 | A | A | 0.0000 | |
| 310 | L | A | 0.0000 | |
| 311 | T | A | -1.0486 | |
| 312 | Q | A | -1.5648 | |
| 313 | T | A | -1.7698 | |
| 314 | K | A | -2.7578 | |
| 315 | D | A | -2.5844 | |
| 316 | P | A | -1.9509 | |
| 317 | Q | A | -2.3781 | |
| 318 | Q | A | -2.4919 | |
| 319 | I | A | 0.0000 | |
| 320 | Q | A | -1.9484 | |
| 321 | Q | A | -2.4646 | |
| 322 | I | A | 0.0000 | |
| 323 | F | A | 0.0000 | |
| 324 | N | A | -2.2116 | |
| 325 | Q | A | -1.8928 | |
| 326 | Y | A | 0.0000 | |
| 1 | L | B | 0.6988 | |
| 2 | P | B | -0.1161 | |
| 3 | N | B | -1.0727 | |
| 4 | I | B | 0.0000 | |
| 5 | T | B | -1.6636 | |
| 6 | I | B | 0.0000 | |
| 7 | L | B | 0.0000 | |
| 8 | A | B | 0.0000 | |
| 9 | T | B | 0.0000 | |
| 10 | G | B | 0.0000 | |
| 11 | G | B | 0.0000 | |
| 12 | T | B | 0.0000 | |
| 13 | I | B | 0.0000 | |
| 14 | A | B | 0.0000 | |
| 15 | G | B | 0.0000 | |
| 16 | G | B | -0.9146 | |
| 17 | G | B | -1.3137 | |
| 18 | D | B | -2.1193 | |
| 19 | S | B | -1.2934 | |
| 20 | A | B | -0.6976 | |
| 21 | T | B | -0.7644 | |
| 22 | K | B | -1.5183 | |
| 23 | S | B | -1.4213 | |
| 24 | N | B | -1.8282 | |
| 25 | Y | B | -0.9837 | |
| 26 | T | B | -0.6781 | |
| 27 | A | B | -0.5713 | |
| 28 | G | B | 0.0000 | |
| 29 | K | B | -1.7792 | |
| 30 | V | B | -1.1871 | |
| 31 | G | B | -1.7019 | |
| 32 | V | B | 0.0000 | |
| 33 | E | B | -3.2156 | |
| 34 | N | B | -2.4366 | |
| 35 | L | B | 0.0000 | |
| 36 | V | B | -1.9557 | |
| 37 | N | B | -2.3446 | |
| 38 | A | B | -1.2112 | |
| 39 | V | B | 0.0000 | |
| 40 | P | B | -1.4522 | |
| 41 | Q | B | -1.5797 | |
| 42 | L | B | 0.0000 | |
| 43 | K | B | -2.7187 | |
| 44 | D | B | -2.4112 | |
| 45 | I | B | -0.8513 | |
| 46 | A | B | 0.0000 | |
| 47 | N | B | -1.6567 | |
| 48 | V | B | -1.6045 | |
| 49 | K | B | -2.5252 | |
| 50 | G | B | -2.4298 | |
| 51 | E | B | -2.3939 | |
| 52 | Q | B | -1.4137 | |
| 53 | V | B | -0.4558 | |
| 54 | V | B | -0.2828 | |
| 55 | N | B | -1.2595 | |
| 56 | I | B | -0.4854 | |
| 57 | G | B | -0.6240 | |
| 58 | S | B | 0.0000 | |
| 59 | Q | B | -0.6223 | |
| 60 | D | B | -0.9161 | |
| 61 | M | B | 0.0000 | |
| 62 | N | B | -1.1834 | |
| 63 | D | B | -2.0263 | |
| 64 | D | B | -2.5926 | |
| 65 | V | B | 0.0000 | |
| 66 | W | B | 0.0000 | |
| 67 | L | B | 0.0000 | |
| 68 | T | B | -1.0455 | |
| 69 | L | B | 0.0000 | |
| 70 | A | B | 0.0000 | |
| 71 | K | B | -1.5936 | |
| 72 | K | B | -1.2822 | |
| 73 | I | B | 0.0000 | |
| 74 | N | B | -1.4696 | |
| 75 | T | B | -1.6227 | |
| 76 | D | B | -2.3968 | |
| 77 | C | B | -2.4516 | |
| 78 | D | B | -3.1301 | |
| 79 | K | B | -3.0730 | |
| 80 | T | B | 0.0000 | |
| 81 | D | B | -2.3955 | |
| 82 | G | B | 0.0000 | |
| 83 | F | B | 0.0000 | |
| 84 | V | B | 0.0000 | |
| 85 | I | B | 0.0000 | |
| 86 | T | B | 0.0000 | |
| 87 | H | B | 0.0000 | |
| 88 | G | B | 0.0000 | |
| 89 | T | B | 0.0000 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | 0.0000 | |
| 92 | M | B | 0.0000 | |
| 93 | E | B | 0.0000 | |
| 94 | E | B | 0.0000 | |
| 95 | T | B | 0.0000 | |
| 96 | A | B | 0.0000 | |
| 97 | Y | B | 0.0000 | |
| 98 | F | B | 0.0000 | |
| 99 | L | B | 0.0000 | |
| 100 | D | B | 0.0000 | |
| 101 | L | B | 0.0000 | |
| 102 | T | B | 0.0000 | |
| 103 | V | B | 0.0000 | |
| 104 | K | B | -1.5718 | |
| 105 | C | B | 0.0000 | |
| 106 | D | B | -1.6995 | |
| 107 | K | B | -1.9073 | |
| 108 | P | B | 0.0000 | |
| 109 | V | B | 0.0000 | |
| 110 | V | B | 0.0000 | |
| 111 | M | B | 0.0000 | |
| 112 | V | B | 0.0000 | |
| 113 | G | B | 0.0000 | |
| 114 | A | B | 0.0000 | |
| 115 | M | B | -0.1126 | |
| 116 | R | B | -0.2694 | |
| 117 | P | B | 0.0000 | |
| 118 | S | B | -0.1578 | |
| 119 | T | B | -0.5433 | |
| 120 | S | B | -0.4649 | |
| 121 | M | B | -0.0031 | |
| 122 | S | B | 0.0000 | |
| 123 | A | B | -0.0183 | |
| 124 | D | B | 0.0000 | |
| 125 | G | B | 0.0000 | |
| 126 | P | B | -0.0019 | |
| 127 | F | B | 0.1202 | |
| 128 | N | B | 0.0000 | |
| 129 | L | B | 0.0000 | |
| 130 | Y | B | 0.0000 | |
| 131 | N | B | 0.0000 | |
| 132 | A | B | 0.0000 | |
| 133 | V | B | 0.0000 | |
| 134 | V | B | -0.1789 | |
| 135 | T | B | 0.0000 | |
| 136 | A | B | 0.0000 | |
| 137 | A | B | -0.7102 | |
| 138 | D | B | -1.5596 | |
| 139 | K | B | -2.2511 | |
| 140 | A | B | -1.2029 | |
| 141 | S | B | 0.0000 | |
| 142 | A | B | -1.6799 | |
| 143 | N | B | -1.9090 | |
| 144 | R | B | -1.1125 | |
| 145 | G | B | -0.9738 | |
| 146 | V | B | 0.0000 | |
| 147 | L | B | 0.0000 | |
| 148 | V | B | 0.0000 | |
| 149 | V | B | 0.0000 | |
| 150 | M | B | 0.0000 | |
| 151 | N | B | -0.3997 | |
| 152 | D | B | -0.4050 | |
| 153 | T | B | -0.3244 | |
| 154 | V | B | 0.0000 | |
| 155 | L | B | 0.0000 | |
| 156 | D | B | 0.0000 | |
| 157 | G | B | 0.0000 | |
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| 159 | D | B | 0.0000 | |
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| 162 | K | B | 0.0000 | |
| 163 | T | B | 0.0000 | |
| 164 | N | B | -0.4218 | |
| 165 | T | B | 0.0000 | |
| 166 | T | B | -0.3814 | |
| 167 | D | B | -0.5188 | |
| 168 | V | B | 0.0000 | |
| 169 | A | B | 0.0000 | |
| 170 | T | B | 0.0000 | |
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| 172 | K | B | -0.8827 | |
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| 174 | V | B | 0.0676 | |
| 175 | N | B | 0.0000 | |
| 176 | Y | B | 0.0000 | |
| 177 | G | B | 0.0000 | |
| 178 | P | B | -0.1297 | |
| 179 | L | B | 0.0000 | |
| 180 | G | B | 0.0000 | |
| 181 | Y | B | -0.3144 | |
| 182 | I | B | 0.0000 | |
| 183 | H | B | -1.3929 | |
| 184 | N | B | -1.8016 | |
| 185 | G | B | -1.4163 | |
| 186 | K | B | -1.9701 | |
| 187 | I | B | -0.9461 | |
| 188 | D | B | -0.8799 | |
| 189 | Y | B | -0.2220 | |
| 190 | Q | B | 0.0000 | |
| 191 | R | B | 0.0000 | |
| 192 | T | B | -0.3213 | |
| 193 | P | B | -0.4408 | |
| 194 | A | B | -0.3459 | |
| 195 | R | B | -1.1214 | |
| 196 | K | B | -1.6448 | |
| 197 | H | B | -1.5596 | |
| 198 | T | B | 0.0000 | |
| 199 | S | B | -1.9252 | |
| 200 | D | B | -2.3525 | |
| 201 | T | B | 0.0000 | |
| 202 | P | B | -1.4005 | |
| 203 | F | B | 0.0000 | |
| 204 | D | B | -2.3814 | |
| 205 | V | B | 0.0000 | |
| 206 | S | B | -1.8200 | |
| 207 | K | B | -2.4647 | |
| 208 | L | B | -1.9837 | |
| 209 | N | B | -2.7426 | |
| 210 | E | B | -3.1348 | |
| 211 | L | B | 0.0000 | |
| 212 | P | B | -1.4292 | |
| 213 | K | B | -2.2634 | |
| 214 | V | B | 0.0000 | |
| 215 | G | B | 0.0000 | |
| 216 | I | B | 0.0000 | |
| 217 | V | B | 0.0000 | |
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| 219 | N | B | 0.0000 | |
| 220 | Y | B | 0.0000 | |
| 221 | A | B | 0.0000 | |
| 222 | N | B | -1.4089 | |
| 223 | A | B | 0.0000 | |
| 224 | S | B | -0.6446 | |
| 225 | D | B | -0.8410 | |
| 226 | L | B | -0.3423 | |
| 227 | P | B | 0.0000 | |
| 228 | A | B | 0.0000 | |
| 229 | K | B | -1.3468 | |
| 230 | A | B | -1.0668 | |
| 231 | L | B | 0.0000 | |
| 232 | V | B | -1.0750 | |
| 233 | D | B | -1.9432 | |
| 234 | A | B | -1.2156 | |
| 235 | G | B | -1.3275 | |
| 236 | Y | B | -1.1430 | |
| 237 | D | B | -1.4946 | |
| 238 | G | B | 0.0000 | |
| 239 | I | B | 0.0000 | |
| 240 | V | B | 0.0000 | |
| 241 | S | B | 0.0000 | |
| 242 | A | B | 0.0000 | |
| 243 | G | B | 0.0000 | |
| 244 | V | B | 0.0000 | |
| 245 | G | B | 0.0000 | |
| 246 | N | B | -0.3639 | |
| 247 | G | B | 0.0000 | |
| 248 | N | B | 0.0000 | |
| 249 | L | B | 0.0000 | |
| 250 | Y | B | -1.1900 | |
| 251 | K | B | -2.2242 | |
| 252 | T | B | -1.4757 | |
| 253 | V | B | 0.0000 | |
| 254 | F | B | -1.1224 | |
| 255 | D | B | -2.1114 | |
| 256 | T | B | -1.2083 | |
| 257 | L | B | 0.0000 | |
| 258 | A | B | 0.0000 | |
| 259 | T | B | -1.3055 | |
| 260 | A | B | 0.0000 | |
| 261 | A | B | -1.3172 | |
| 262 | K | B | -2.6070 | |
| 263 | N | B | -2.2725 | |
| 264 | G | B | -2.1306 | |
| 265 | T | B | -1.3629 | |
| 266 | A | B | 0.0000 | |
| 267 | V | B | 0.0000 | |
| 268 | V | B | 0.0000 | |
| 269 | R | B | 0.0000 | |
| 270 | S | B | 0.0000 | |
| 271 | S | B | 0.0000 | |
| 272 | R | B | -0.3163 | |
| 273 | V | B | 0.0000 | |
| 274 | P | B | -0.1671 | |
| 275 | T | B | -0.1213 | |
| 276 | G | B | -0.1690 | |
| 277 | A | B | -0.3059 | |
| 278 | T | B | 0.0000 | |
| 279 | T | B | -0.7416 | |
| 280 | Q | B | -1.5755 | |
| 281 | D | B | -1.9983 | |
| 282 | A | B | -1.4652 | |
| 283 | E | B | -1.1695 | |
| 284 | V | B | 0.0000 | |
| 285 | D | B | -2.6567 | |
| 286 | D | B | 0.0000 | |
| 287 | A | B | -1.6196 | |
| 288 | K | B | -2.2875 | |
| 289 | Y | B | -1.2992 | |
| 290 | G | B | -1.4323 | |
| 291 | F | B | 0.0000 | |
| 292 | V | B | 0.0000 | |
| 293 | A | B | 0.0000 | |
| 294 | S | B | 0.0000 | |
| 295 | G | B | -0.5925 | |
| 296 | T | B | -0.2760 | |
| 297 | L | B | 0.0000 | |
| 298 | N | B | -0.2575 | |
| 299 | P | B | 0.0000 | |
| 300 | Q | B | 0.0000 | |
| 301 | K | B | 0.0000 | |
| 302 | A | B | 0.0000 | |
| 303 | R | B | 0.0000 | |
| 304 | V | B | 0.0000 | |
| 305 | L | B | 0.0000 | |
| 306 | L | B | 0.0000 | |
| 307 | Q | B | 0.0000 | |
| 308 | L | B | 0.0000 | |
| 309 | A | B | 0.0000 | |
| 310 | L | B | 0.0000 | |
| 311 | T | B | -0.9366 | |
| 312 | Q | B | -1.6803 | |
| 313 | T | B | -1.7846 | |
| 314 | K | B | -2.6567 | |
| 315 | D | B | -2.3651 | |
| 316 | P | B | -1.9025 | |
| 317 | Q | B | -2.4256 | |
| 318 | Q | B | -2.7724 | |
| 319 | I | B | 0.0000 | |
| 320 | Q | B | -1.9391 | |
| 321 | Q | B | -2.3802 | |
| 322 | I | B | -1.3968 | |
| 323 | F | B | 0.0000 | |
| 324 | N | B | -2.1014 | |
| 325 | Q | B | -1.5935 | |
| 326 | Y | B | 0.0000 | |
| 1 | L | C | 0.6009 | |
| 2 | P | C | -0.1690 | |
| 3 | N | C | -1.1462 | |
| 4 | I | C | 0.0000 | |
| 5 | T | C | -1.5733 | |
| 6 | I | C | 0.0000 | |
| 7 | L | C | 0.0000 | |
| 8 | A | C | 0.0000 | |
| 9 | T | C | 0.0000 | |
| 10 | G | C | 0.0000 | |
| 11 | G | C | 0.0000 | |
| 12 | T | C | 0.0000 | |
| 13 | I | C | 0.0000 | |
| 14 | A | C | 0.0000 | |
| 15 | G | C | 0.0000 | |
| 16 | G | C | -0.9075 | |
| 17 | G | C | -1.5385 | |
| 18 | D | C | -2.2424 | |
| 19 | S | C | -1.4338 | |
| 20 | A | C | -0.8281 | |
| 21 | T | C | -1.0171 | |
| 22 | K | C | -1.9914 | |
| 23 | S | C | -1.5798 | |
| 24 | N | C | -1.8910 | |
| 25 | Y | C | -1.1856 | |
| 26 | T | C | -0.7938 | |
| 27 | A | C | -0.5843 | |
| 28 | G | C | -0.9126 | |
| 29 | K | C | -1.4932 | |
| 30 | V | C | -0.4931 | |
| 31 | G | C | -1.2246 | |
| 32 | V | C | 0.0000 | |
| 33 | E | C | -2.9656 | |
| 34 | N | C | -2.0494 | |
| 35 | L | C | 0.0000 | |
| 36 | V | C | -1.6925 | |
| 37 | N | C | -2.1124 | |
| 38 | A | C | -1.0183 | |
| 39 | V | C | 0.0000 | |
| 40 | P | C | -1.5100 | |
| 41 | Q | C | -1.5632 | |
| 42 | L | C | 0.0000 | |
| 43 | K | C | -2.7369 | |
| 44 | D | C | -2.4789 | |
| 45 | I | C | -1.0319 | |
| 46 | A | C | 0.0000 | |
| 47 | N | C | -1.8125 | |
| 48 | V | C | -1.6723 | |
| 49 | K | C | -2.5877 | |
| 50 | G | C | -2.4163 | |
| 51 | E | C | -2.3328 | |
| 52 | Q | C | -1.1867 | |
| 53 | V | C | -0.2523 | |
| 54 | V | C | -0.1848 | |
| 55 | N | C | -1.0802 | |
| 56 | I | C | -0.5010 | |
| 57 | G | C | -0.6664 | |
| 58 | S | C | 0.0000 | |
| 59 | Q | C | -0.6429 | |
| 60 | D | C | -0.9552 | |
| 61 | M | C | 0.0000 | |
| 62 | N | C | -1.1845 | |
| 63 | D | C | -2.0451 | |
| 64 | D | C | -2.6239 | |
| 65 | V | C | 0.0000 | |
| 66 | W | C | 0.0000 | |
| 67 | L | C | 0.0000 | |
| 68 | T | C | -0.9521 | |
| 69 | L | C | 0.0000 | |
| 70 | A | C | 0.0000 | |
| 71 | K | C | -1.3084 | |
| 72 | K | C | -0.7879 | |
| 73 | I | C | 0.0000 | |
| 74 | N | C | -1.2169 | |
| 75 | T | C | -1.2120 | |
| 76 | D | C | -1.7005 | |
| 77 | C | C | -2.1687 | |
| 78 | D | C | -2.9370 | |
| 79 | K | C | -2.8552 | |
| 80 | T | C | 0.0000 | |
| 81 | D | C | -2.2874 | |
| 82 | G | C | 0.0000 | |
| 83 | F | C | 0.0000 | |
| 84 | V | C | 0.0000 | |
| 85 | I | C | 0.0000 | |
| 86 | T | C | 0.0000 | |
| 87 | H | C | 0.0000 | |
| 88 | G | C | 0.0000 | |
| 89 | T | C | 0.0000 | |
| 90 | D | C | 0.0000 | |
| 91 | T | C | 0.0000 | |
| 92 | M | C | 0.0000 | |
| 93 | E | C | 0.0000 | |
| 94 | E | C | 0.0000 | |
| 95 | T | C | 0.0000 | |
| 96 | A | C | 0.0000 | |
| 97 | Y | C | 0.0000 | |
| 98 | F | C | 0.0000 | |
| 99 | L | C | 0.0000 | |
| 100 | D | C | 0.0000 | |
| 101 | L | C | 0.0000 | |
| 102 | T | C | 0.0000 | |
| 103 | V | C | 0.0000 | |
| 104 | K | C | -1.6647 | |
| 105 | C | C | 0.0000 | |
| 106 | D | C | -2.3125 | |
| 107 | K | C | -2.2938 | |
| 108 | P | C | 0.0000 | |
| 109 | V | C | 0.0000 | |
| 110 | V | C | 0.0000 | |
| 111 | M | C | 0.0000 | |
| 112 | V | C | 0.0000 | |
| 113 | G | C | 0.0000 | |
| 114 | A | C | 0.0000 | |
| 115 | M | C | -0.0783 | |
| 116 | R | C | -0.3797 | |
| 117 | P | C | 0.0000 | |
| 118 | S | C | -0.3349 | |
| 119 | T | C | -0.7366 | |
| 120 | S | C | -0.6733 | |
| 121 | M | C | 0.0000 | |
| 122 | S | C | -0.0261 | |
| 123 | A | C | -0.0518 | |
| 124 | D | C | 0.0000 | |
| 125 | G | C | 0.0000 | |
| 126 | P | C | 0.0563 | |
| 127 | F | C | 0.1775 | |
| 128 | N | C | 0.0000 | |
| 129 | L | C | 0.0000 | |
| 130 | Y | C | 0.0000 | |
| 131 | N | C | 0.0000 | |
| 132 | A | C | 0.0000 | |
| 133 | V | C | 0.0000 | |
| 134 | V | C | 0.0000 | |
| 135 | T | C | 0.0000 | |
| 136 | A | C | 0.0000 | |
| 137 | A | C | -0.8383 | |
| 138 | D | C | -1.7006 | |
| 139 | K | C | -2.3161 | |
| 140 | A | C | -1.2186 | |
| 141 | S | C | 0.0000 | |
| 142 | A | C | -1.9162 | |
| 143 | N | C | -2.1843 | |
| 144 | R | C | -1.2602 | |
| 145 | G | C | -1.1629 | |
| 146 | V | C | 0.0000 | |
| 147 | L | C | 0.0000 | |
| 148 | V | C | 0.0000 | |
| 149 | V | C | 0.0000 | |
| 150 | M | C | 0.0000 | |
| 151 | N | C | 0.0000 | |
| 152 | D | C | -0.2747 | |
| 153 | T | C | 0.0000 | |
| 154 | V | C | 0.0000 | |
| 155 | L | C | 0.0000 | |
| 156 | D | C | 0.0000 | |
| 157 | G | C | 0.0000 | |
| 158 | R | C | 0.0000 | |
| 159 | D | C | 0.0000 | |
| 160 | V | C | 0.0000 | |
| 161 | T | C | 0.0000 | |
| 162 | K | C | 0.0000 | |
| 163 | T | C | -0.3131 | |
| 164 | N | C | -0.3970 | |
| 165 | T | C | 0.0000 | |
| 166 | T | C | -0.3326 | |
| 167 | D | C | -0.4124 | |
| 168 | V | C | 0.0000 | |
| 169 | A | C | 0.0000 | |
| 170 | T | C | 0.0000 | |
| 171 | F | C | 0.0000 | |
| 172 | K | C | -0.6915 | |
| 173 | S | C | 0.0000 | |
| 174 | V | C | 0.1060 | |
| 175 | N | C | 0.0000 | |
| 176 | Y | C | 0.0000 | |
| 177 | G | C | -0.0575 | |
| 178 | P | C | -0.0964 | |
| 179 | L | C | 0.0000 | |
| 180 | G | C | 0.0000 | |
| 181 | Y | C | -0.2355 | |
| 182 | I | C | 0.0000 | |
| 183 | H | C | -1.4299 | |
| 184 | N | C | -1.9199 | |
| 185 | G | C | -1.5974 | |
| 186 | K | C | -2.0559 | |
| 187 | I | C | -0.9965 | |
| 188 | D | C | -0.8338 | |
| 189 | Y | C | -0.1920 | |
| 190 | Q | C | 0.0000 | |
| 191 | R | C | 0.0000 | |
| 192 | T | C | -0.3024 | |
| 193 | P | C | -0.4819 | |
| 194 | A | C | -0.4426 | |
| 195 | R | C | -1.2626 | |
| 196 | K | C | -1.9300 | |
| 197 | H | C | -1.8042 | |
| 198 | T | C | 0.0000 | |
| 199 | S | C | -2.1121 | |
| 200 | D | C | -2.4977 | |
| 201 | T | C | 0.0000 | |
| 202 | P | C | -1.4157 | |
| 203 | F | C | 0.0000 | |
| 204 | D | C | -2.1586 | |
| 205 | V | C | 0.0000 | |
| 206 | S | C | -1.8434 | |
| 207 | K | C | -2.5625 | |
| 208 | L | C | -2.1451 | |
| 209 | N | C | -2.8425 | |
| 210 | E | C | -3.1827 | |
| 211 | L | C | 0.0000 | |
| 212 | P | C | -1.3774 | |
| 213 | K | C | -2.1863 | |
| 214 | V | C | 0.0000 | |
| 215 | G | C | 0.0000 | |
| 216 | I | C | 0.0000 | |
| 217 | V | C | 0.0000 | |
| 218 | Y | C | 0.0000 | |
| 219 | N | C | 0.0000 | |
| 220 | Y | C | 0.0000 | |
| 221 | A | C | 0.0000 | |
| 222 | N | C | -1.3543 | |
| 223 | A | C | 0.0000 | |
| 224 | S | C | -0.6238 | |
| 225 | D | C | -0.8133 | |
| 226 | L | C | -0.3234 | |
| 227 | P | C | 0.0000 | |
| 228 | A | C | 0.0000 | |
| 229 | K | C | -1.2316 | |
| 230 | A | C | -0.9925 | |
| 231 | L | C | 0.0000 | |
| 232 | V | C | -0.9998 | |
| 233 | D | C | -1.8956 | |
| 234 | A | C | -1.1570 | |
| 235 | G | C | -1.1559 | |
| 236 | Y | C | -1.0265 | |
| 237 | D | C | -1.2580 | |
| 238 | G | C | 0.0000 | |
| 239 | I | C | 0.0000 | |
| 240 | V | C | 0.0000 | |
| 241 | S | C | 0.0000 | |
| 242 | A | C | 0.0000 | |
| 243 | G | C | 0.0000 | |
| 244 | V | C | 0.0000 | |
| 245 | G | C | 0.0000 | |
| 246 | N | C | -0.3706 | |
| 247 | G | C | 0.0000 | |
| 248 | N | C | 0.0000 | |
| 249 | L | C | 0.0000 | |
| 250 | Y | C | 0.0000 | |
| 251 | K | C | -2.1248 | |
| 252 | T | C | -1.4233 | |
| 253 | V | C | 0.0000 | |
| 254 | F | C | -1.0916 | |
| 255 | D | C | -2.0983 | |
| 256 | T | C | -1.1782 | |
| 257 | L | C | 0.0000 | |
| 258 | A | C | -1.3236 | |
| 259 | T | C | -1.3687 | |
| 260 | A | C | 0.0000 | |
| 261 | A | C | -1.3139 | |
| 262 | K | C | -2.4284 | |
| 263 | N | C | -2.2239 | |
| 264 | G | C | -2.0373 | |
| 265 | T | C | -1.2283 | |
| 266 | A | C | -1.0644 | |
| 267 | V | C | 0.0000 | |
| 268 | V | C | 0.0000 | |
| 269 | R | C | 0.0000 | |
| 270 | S | C | 0.0000 | |
| 271 | S | C | 0.0000 | |
| 272 | R | C | -0.3091 | |
| 273 | V | C | 0.0000 | |
| 274 | P | C | -0.1612 | |
| 275 | T | C | -0.1074 | |
| 276 | G | C | -0.1590 | |
| 277 | A | C | -0.2909 | |
| 278 | T | C | 0.0000 | |
| 279 | T | C | -0.7412 | |
| 280 | Q | C | -1.6881 | |
| 281 | D | C | -2.2073 | |
| 282 | A | C | 0.0000 | |
| 283 | E | C | -1.2917 | |
| 284 | V | C | 0.0000 | |
| 285 | D | C | -2.7573 | |
| 286 | D | C | 0.0000 | |
| 287 | A | C | -1.6486 | |
| 288 | K | C | -2.1437 | |
| 289 | Y | C | -1.3198 | |
| 290 | G | C | -1.4582 | |
| 291 | F | C | 0.0000 | |
| 292 | V | C | 0.0000 | |
| 293 | A | C | 0.0000 | |
| 294 | S | C | 0.0000 | |
| 295 | G | C | -0.5867 | |
| 296 | T | C | -0.2635 | |
| 297 | L | C | 0.0000 | |
| 298 | N | C | -0.2308 | |
| 299 | P | C | 0.0000 | |
| 300 | Q | C | 0.0000 | |
| 301 | K | C | 0.0000 | |
| 302 | A | C | 0.0000 | |
| 303 | R | C | 0.0000 | |
| 304 | V | C | 0.0000 | |
| 305 | L | C | 0.0000 | |
| 306 | L | C | 0.0000 | |
| 307 | Q | C | 0.0000 | |
| 308 | L | C | 0.0000 | |
| 309 | A | C | 0.0000 | |
| 310 | L | C | 0.0000 | |
| 311 | T | C | -0.9657 | |
| 312 | Q | C | -1.7936 | |
| 313 | T | C | -1.8041 | |
| 314 | K | C | -2.4827 | |
| 315 | D | C | -2.3025 | |
| 316 | P | C | -1.8186 | |
| 317 | Q | C | -2.2661 | |
| 318 | Q | C | -2.4141 | |
| 319 | I | C | 0.0000 | |
| 320 | Q | C | -1.8949 | |
| 321 | Q | C | -2.2093 | |
| 322 | I | C | 0.0000 | |
| 323 | F | C | 0.0000 | |
| 324 | N | C | -2.2001 | |
| 325 | Q | C | -1.9455 | |
| 326 | Y | C | -1.3507 | |
| 1 | L | D | 0.4662 | |
| 2 | P | D | -0.4462 | |
| 3 | N | D | -1.8431 | |
| 4 | I | D | 0.0000 | |
| 5 | T | D | 0.0000 | |
| 6 | I | D | 0.0000 | |
| 7 | L | D | 0.0000 | |
| 8 | A | D | 0.0000 | |
| 9 | T | D | 0.0000 | |
| 10 | G | D | 0.0000 | |
| 11 | G | D | 0.0000 | |
| 12 | T | D | 0.0000 | |
| 13 | I | D | 0.0000 | |
| 14 | A | D | 0.0000 | |
| 15 | G | D | 0.0000 | |
| 16 | G | D | -1.0164 | |
| 17 | G | D | -1.6228 | |
| 18 | D | D | -2.2538 | |
| 19 | S | D | -1.5047 | |
| 20 | A | D | -0.9288 | |
| 21 | T | D | -1.1507 | |
| 22 | K | D | -2.2073 | |
| 23 | S | D | -1.7091 | |
| 24 | N | D | -1.8402 | |
| 25 | Y | D | -1.1892 | |
| 26 | T | D | -0.7233 | |
| 27 | A | D | 0.0000 | |
| 28 | G | D | 0.0000 | |
| 29 | K | D | -1.6284 | |
| 30 | V | D | -1.1824 | |
| 31 | G | D | -1.5752 | |
| 32 | V | D | 0.0000 | |
| 33 | E | D | -3.2571 | |
| 34 | N | D | -2.5116 | |
| 35 | L | D | 0.0000 | |
| 36 | V | D | 0.0000 | |
| 37 | N | D | -2.4876 | |
| 38 | A | D | -1.2918 | |
| 39 | V | D | 0.0000 | |
| 40 | P | D | -1.5777 | |
| 41 | Q | D | -1.6397 | |
| 42 | L | D | 0.0000 | |
| 43 | K | D | -2.8060 | |
| 44 | D | D | -2.4218 | |
| 45 | I | D | -0.8622 | |
| 46 | A | D | 0.0000 | |
| 47 | N | D | -2.1963 | |
| 48 | V | D | -1.7585 | |
| 49 | K | D | -2.6337 | |
| 50 | G | D | -2.2280 | |
| 51 | E | D | -2.1376 | |
| 52 | Q | D | -1.1183 | |
| 53 | V | D | -0.1546 | |
| 54 | V | D | 0.1734 | |
| 55 | N | D | -0.4358 | |
| 56 | I | D | -0.0616 | |
| 57 | G | D | -0.4680 | |
| 58 | S | D | 0.0000 | |
| 59 | Q | D | -0.6234 | |
| 60 | D | D | -0.9181 | |
| 61 | M | D | 0.0000 | |
| 62 | N | D | -1.2227 | |
| 63 | D | D | -2.0902 | |
| 64 | D | D | -2.6317 | |
| 65 | V | D | 0.0000 | |
| 66 | W | D | 0.0000 | |
| 67 | L | D | 0.0000 | |
| 68 | T | D | -0.9994 | |
| 69 | L | D | 0.0000 | |
| 70 | A | D | 0.0000 | |
| 71 | K | D | -1.5691 | |
| 72 | K | D | -1.0920 | |
| 73 | I | D | 0.0000 | |
| 74 | N | D | -1.5790 | |
| 75 | T | D | -1.5143 | |
| 76 | D | D | -2.1534 | |
| 77 | C | D | -2.2690 | |
| 78 | D | D | -3.0159 | |
| 79 | K | D | -3.0576 | |
| 80 | T | D | 0.0000 | |
| 81 | D | D | -2.3442 | |
| 82 | G | D | 0.0000 | |
| 83 | F | D | 0.0000 | |
| 84 | V | D | 0.0000 | |
| 85 | I | D | 0.0000 | |
| 86 | T | D | 0.0000 | |
| 87 | H | D | 0.0000 | |
| 88 | G | D | 0.0000 | |
| 89 | T | D | 0.0000 | |
| 90 | D | D | 0.0000 | |
| 91 | T | D | 0.0000 | |
| 92 | M | D | 0.0000 | |
| 93 | E | D | 0.0000 | |
| 94 | E | D | 0.0000 | |
| 95 | T | D | 0.0000 | |
| 96 | A | D | 0.0000 | |
| 97 | Y | D | 0.0000 | |
| 98 | F | D | 0.0000 | |
| 99 | L | D | 0.0000 | |
| 100 | D | D | 0.0000 | |
| 101 | L | D | 0.0000 | |
| 102 | T | D | 0.0000 | |
| 103 | V | D | 0.0000 | |
| 104 | K | D | -1.6053 | |
| 105 | C | D | 0.0000 | |
| 106 | D | D | -1.8241 | |
| 107 | K | D | -1.9308 | |
| 108 | P | D | 0.0000 | |
| 109 | V | D | 0.0000 | |
| 110 | V | D | 0.0000 | |
| 111 | M | D | 0.0000 | |
| 112 | V | D | 0.0000 | |
| 113 | G | D | 0.0000 | |
| 114 | A | D | 0.0000 | |
| 115 | M | D | -0.0790 | |
| 116 | R | D | -0.2383 | |
| 117 | P | D | 0.0000 | |
| 118 | S | D | -0.1519 | |
| 119 | T | D | -0.6621 | |
| 120 | S | D | -0.6197 | |
| 121 | M | D | -0.1275 | |
| 122 | S | D | 0.0135 | |
| 123 | A | D | -0.0212 | |
| 124 | D | D | 0.0000 | |
| 125 | G | D | 0.0000 | |
| 126 | P | D | 0.0504 | |
| 127 | F | D | 0.1961 | |
| 128 | N | D | 0.0000 | |
| 129 | L | D | 0.0000 | |
| 130 | Y | D | 0.0000 | |
| 131 | N | D | 0.0000 | |
| 132 | A | D | 0.0000 | |
| 133 | V | D | 0.0000 | |
| 134 | V | D | -0.2114 | |
| 135 | T | D | 0.0000 | |
| 136 | A | D | 0.0000 | |
| 137 | A | D | -0.8246 | |
| 138 | D | D | -1.6472 | |
| 139 | K | D | -2.2807 | |
| 140 | A | D | -1.1755 | |
| 141 | S | D | 0.0000 | |
| 142 | A | D | -1.7395 | |
| 143 | N | D | -1.9674 | |
| 144 | R | D | -1.1416 | |
| 145 | G | D | -1.2315 | |
| 146 | V | D | 0.0000 | |
| 147 | L | D | 0.0000 | |
| 148 | V | D | 0.0000 | |
| 149 | V | D | 0.0000 | |
| 150 | M | D | 0.0000 | |
| 151 | N | D | 0.0000 | |
| 152 | D | D | -0.2457 | |
| 153 | T | D | 0.0000 | |
| 154 | V | D | 0.0000 | |
| 155 | L | D | 0.0000 | |
| 156 | D | D | 0.0000 | |
| 157 | G | D | 0.0000 | |
| 158 | R | D | 0.0000 | |
| 159 | D | D | 0.0000 | |
| 160 | V | D | 0.0000 | |
| 161 | T | D | 0.0000 | |
| 162 | K | D | 0.0000 | |
| 163 | T | D | -0.3079 | |
| 164 | N | D | -0.4367 | |
| 165 | T | D | 0.0000 | |
| 166 | T | D | -0.3357 | |
| 167 | D | D | -0.4432 | |
| 168 | V | D | 0.0000 | |
| 169 | A | D | 0.0000 | |
| 170 | T | D | 0.0000 | |
| 171 | F | D | 0.0000 | |
| 172 | K | D | -0.6345 | |
| 173 | S | D | 0.0000 | |
| 174 | V | D | 0.1208 | |
| 175 | N | D | 0.0000 | |
| 176 | Y | D | 0.0000 | |
| 177 | G | D | 0.0000 | |
| 178 | P | D | -0.0647 | |
| 179 | L | D | 0.0000 | |
| 180 | G | D | 0.0000 | |
| 181 | Y | D | -0.2354 | |
| 182 | I | D | 0.0000 | |
| 183 | H | D | -1.3475 | |
| 184 | N | D | -1.6534 | |
| 185 | G | D | -1.3564 | |
| 186 | K | D | -1.9694 | |
| 187 | I | D | -0.9280 | |
| 188 | D | D | -0.8224 | |
| 189 | Y | D | -0.1815 | |
| 190 | Q | D | 0.0000 | |
| 191 | R | D | 0.0000 | |
| 192 | T | D | -0.2971 | |
| 193 | P | D | -0.4958 | |
| 194 | A | D | -0.4527 | |
| 195 | R | D | -1.2613 | |
| 196 | K | D | -1.8560 | |
| 197 | H | D | -1.6876 | |
| 198 | T | D | 0.0000 | |
| 199 | S | D | -1.9984 | |
| 200 | D | D | -2.4343 | |
| 201 | T | D | 0.0000 | |
| 202 | P | D | -1.4666 | |
| 203 | F | D | 0.0000 | |
| 204 | D | D | -2.5274 | |
| 205 | V | D | 0.0000 | |
| 206 | S | D | -1.9884 | |
| 207 | K | D | -2.6250 | |
| 208 | L | D | -2.2203 | |
| 209 | N | D | -2.8376 | |
| 210 | E | D | -3.2113 | |
| 211 | L | D | 0.0000 | |
| 212 | P | D | -1.4508 | |
| 213 | K | D | -2.2893 | |
| 214 | V | D | 0.0000 | |
| 215 | G | D | 0.0000 | |
| 216 | I | D | 0.0000 | |
| 217 | V | D | 0.0000 | |
| 218 | Y | D | 0.0000 | |
| 219 | N | D | 0.0000 | |
| 220 | Y | D | 0.0000 | |
| 221 | A | D | 0.0000 | |
| 222 | N | D | -1.4170 | |
| 223 | A | D | 0.0000 | |
| 224 | S | D | -0.7984 | |
| 225 | D | D | -1.1932 | |
| 226 | L | D | -0.5466 | |
| 227 | P | D | 0.0000 | |
| 228 | A | D | 0.0000 | |
| 229 | K | D | -1.3451 | |
| 230 | A | D | -1.0184 | |
| 231 | L | D | 0.0000 | |
| 232 | V | D | -0.9605 | |
| 233 | D | D | -1.8505 | |
| 234 | A | D | -1.1630 | |
| 235 | G | D | -1.2878 | |
| 236 | Y | D | -1.1469 | |
| 237 | D | D | -1.5347 | |
| 238 | G | D | 0.0000 | |
| 239 | I | D | 0.0000 | |
| 240 | V | D | 0.0000 | |
| 241 | S | D | 0.0000 | |
| 242 | A | D | 0.0000 | |
| 243 | G | D | 0.0000 | |
| 244 | V | D | 0.0000 | |
| 245 | G | D | 0.0000 | |
| 246 | N | D | -0.3759 | |
| 247 | G | D | 0.0000 | |
| 248 | N | D | 0.0000 | |
| 249 | L | D | 0.0000 | |
| 250 | Y | D | 0.0000 | |
| 251 | K | D | -1.9562 | |
| 252 | T | D | -1.4377 | |
| 253 | V | D | 0.0000 | |
| 254 | F | D | -1.0613 | |
| 255 | D | D | -2.0795 | |
| 256 | T | D | -1.2412 | |
| 257 | L | D | 0.0000 | |
| 258 | A | D | -1.2647 | |
| 259 | T | D | -1.3450 | |
| 260 | A | D | 0.0000 | |
| 261 | A | D | -1.3544 | |
| 262 | K | D | -2.4459 | |
| 263 | N | D | -2.2582 | |
| 264 | G | D | -2.2023 | |
| 265 | T | D | -1.4466 | |
| 266 | A | D | 0.0000 | |
| 267 | V | D | 0.0000 | |
| 268 | V | D | 0.0000 | |
| 269 | R | D | 0.0000 | |
| 270 | S | D | 0.0000 | |
| 271 | S | D | 0.0000 | |
| 272 | R | D | -0.3072 | |
| 273 | V | D | 0.0000 | |
| 274 | P | D | -0.1409 | |
| 275 | T | D | -0.1062 | |
| 276 | G | D | -0.1607 | |
| 277 | A | D | -0.3503 | |
| 278 | T | D | 0.0000 | |
| 279 | T | D | -0.8184 | |
| 280 | Q | D | -1.7709 | |
| 281 | D | D | -2.0276 | |
| 282 | A | D | -1.4604 | |
| 283 | E | D | -1.2019 | |
| 284 | V | D | 0.0000 | |
| 285 | D | D | -2.7321 | |
| 286 | D | D | 0.0000 | |
| 287 | A | D | -1.6680 | |
| 288 | K | D | -2.1412 | |
| 289 | Y | D | -1.3255 | |
| 290 | G | D | -1.4603 | |
| 291 | F | D | 0.0000 | |
| 292 | V | D | 0.0000 | |
| 293 | A | D | 0.0000 | |
| 294 | S | D | 0.0000 | |
| 295 | G | D | -0.6602 | |
| 296 | T | D | 0.0000 | |
| 297 | L | D | 0.0000 | |
| 298 | N | D | -0.2152 | |
| 299 | P | D | 0.0000 | |
| 300 | Q | D | 0.0000 | |
| 301 | K | D | 0.0000 | |
| 302 | A | D | 0.0000 | |
| 303 | R | D | 0.0000 | |
| 304 | V | D | 0.0000 | |
| 305 | L | D | 0.0000 | |
| 306 | L | D | 0.0000 | |
| 307 | Q | D | 0.0000 | |
| 308 | L | D | 0.0000 | |
| 309 | A | D | 0.0000 | |
| 310 | L | D | 0.0000 | |
| 311 | T | D | -1.0867 | |
| 312 | Q | D | -1.9875 | |
| 313 | T | D | -1.9884 | |
| 314 | K | D | -2.8319 | |
| 315 | D | D | -2.5398 | |
| 316 | P | D | -2.0054 | |
| 317 | Q | D | -2.4892 | |
| 318 | Q | D | -2.8705 | |
| 319 | I | D | 0.0000 | |
| 320 | Q | D | -1.8877 | |
| 321 | Q | D | -2.2923 | |
| 322 | I | D | -1.3904 | |
| 323 | F | D | 0.0000 | |
| 324 | N | D | -2.1464 | |
| 325 | Q | D | -1.6340 | |
| 326 | Y | D | -1.1821 |
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 | -0.5432 | 1.5984 | View | CSV | PDB |
| 4.5 | -0.5908 | 1.5174 | View | CSV | PDB |
| 5.0 | -0.6445 | 1.422 | View | CSV | PDB |
| 5.5 | -0.6953 | 1.3251 | View | CSV | PDB |
| 6.0 | -0.7332 | 1.2378 | View | CSV | PDB |
| 6.5 | -0.7507 | 1.1673 | View | CSV | PDB |
| 7.0 | -0.7488 | 1.1117 | View | CSV | PDB |
| 7.5 | -0.7348 | 1.0688 | View | CSV | PDB |
| 8.0 | -0.7134 | 1.0466 | View | CSV | PDB |
| 8.5 | -0.6841 | 1.0342 | View | CSV | PDB |
| 9.0 | -0.6444 | 1.0393 | 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