| Chain sequence(s) |
A: LSTAVSTLLESGSLVTVAEQHPVTFVRNFRGLAELLKVSGKMQKRDWKTNVHVIVGPPGCGKSKWAANFADPETTYWKPPRNKWWDGYHGEEVVVIDDFYGWLPWDDLLRLCDRYPLTVETKGGTVPFLARSILITSNQTPLEWYSSTAVPAVEALYRRITSLVFWKNATEQSTEEGGQFVTL
C: LSTAVSTLLESGSLVTVAEQHPVTFVRNFRGLAELLKVSGKMQKRDWKTNVHVIVGPPGCGKSKWAANFADPETTYWKPPRNKWWDGYHGEEVVVIDDFYGWLPWDDLLRLCDRYPLTVETKGGTVPFLARSILITSNQTPLEWYSSTAVPAVEALYRRITSLVFWKNATEQSTEEGGQFVTL B: LSTAVSTLLESGSLVTVAEQHPVTFVRNFRGLAELLKVSGKMQKRDWKTNVHVIVGPPGCGKSKWAANFADPETTYWKPPRNKWWDGYHGEEVVVIDDFYGWLPWDDLLRLCDRYPLTVETKGGTVPFLARSILITSNQTPLEWYSSTAVPAVEALYRRITSLVFWKNATEQSTEEGGQFVTL E: LSTAVSTLLESGSLVTVAEQHPVTFVRNFRGLAELLKVSGKMQKRDWKTNVHVIVGPPGCGKSKWAANFADPETTYWKPPRNKWWDGYHGEEVVVIDDFYGWLPWDDLLRLCDRYPLTVETKGGTVPFLARSILITSNQTPLEWYSSTAVPAVEALYRRITSLVFWKNATEQSTEEGGQFVTL D: LSTAVSTLLESGSLVTVAEQHPVTFVRNFRGLAELLKVSGKMQKRDWKTNVHVIVGPPGCGKSKWAANFADPETTYWKPPRNKWWDGYHGEEVVVIDDFYGWLPWDDLLRLCDRYPLTVETKGGTVPFLARSILITSNQTPLEWYSSTAVPAVEALYRRITSLVFWKNATEQSTEEGGQFVTL F: LSTAVSTLLESGSLVTVAEQHPVTFVRNFRGLAELLKVSGKMQKRDWKTNVHVIVGPPGCGKSKWAANFADPETTYWKPPRNKWWDGYHGEEVVVIDDFYGWLPWDDLLRLCDRYPLTVETKGGTVPFLARSILITSNQTPLEWYSSTAVPAVEALYRRITSLVFWKNATEQSTEEGGQFVTL input PDB |
| Selected Chain(s) | A,C,B,E,D,F |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:32:39)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/11e9df6637aae76/tmp/folded.pdb (00:32:39)
[INFO] Main: Simulation completed successfully. (00:43:10)
|
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 |
|---|---|---|---|---|
| 119 | L | A | 0.5916 | |
| 120 | S | A | 0.2310 | |
| 121 | T | A | 0.0291 | |
| 122 | A | A | 0.0000 | |
| 123 | V | A | 0.0000 | |
| 124 | S | A | -0.4045 | |
| 125 | T | A | -0.7831 | |
| 126 | L | A | 0.0000 | |
| 127 | L | A | -0.9925 | |
| 128 | E | A | -2.1381 | |
| 129 | S | A | -1.4325 | |
| 130 | G | A | -0.7669 | |
| 131 | S | A | -0.4841 | |
| 132 | L | A | 0.1494 | |
| 133 | V | A | -0.1003 | |
| 134 | T | A | -1.0209 | |
| 135 | V | A | 0.0000 | |
| 136 | A | A | 0.0000 | |
| 137 | E | A | -2.1731 | |
| 138 | Q | A | -1.9787 | |
| 139 | H | A | -0.9218 | |
| 140 | P | A | -0.4656 | |
| 141 | V | A | 0.5788 | |
| 142 | T | A | 0.0770 | |
| 143 | F | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | R | A | -1.5222 | |
| 146 | N | A | -1.4910 | |
| 147 | F | A | 0.0000 | |
| 148 | R | A | -2.7128 | |
| 149 | G | A | 0.0000 | |
| 150 | L | A | 0.0000 | |
| 151 | A | A | -1.1642 | |
| 152 | E | A | -1.7075 | |
| 153 | L | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | K | A | -1.4256 | |
| 156 | V | A | -0.4302 | |
| 157 | S | A | -0.7927 | |
| 158 | G | A | -1.2533 | |
| 159 | K | A | -2.2600 | |
| 160 | M | A | -1.8844 | |
| 161 | Q | A | -2.4370 | |
| 162 | K | A | -2.5073 | |
| 163 | R | A | 0.0000 | |
| 164 | D | A | -2.3938 | |
| 165 | W | A | -1.8140 | |
| 166 | K | A | -2.0914 | |
| 167 | T | A | 0.0000 | |
| 168 | N | A | -1.4180 | |
| 169 | V | A | 0.0000 | |
| 170 | H | A | -0.3007 | |
| 171 | V | A | 0.0000 | |
| 172 | I | A | 0.0000 | |
| 173 | V | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | P | A | -0.6162 | |
| 176 | P | A | -0.9164 | |
| 177 | G | A | -1.2032 | |
| 178 | C | A | -0.9762 | |
| 179 | G | A | -0.9114 | |
| 180 | K | A | 0.0000 | |
| 181 | S | A | 0.0000 | |
| 182 | K | A | -1.9835 | |
| 183 | W | A | -0.7723 | |
| 184 | A | A | 0.0000 | |
| 185 | A | A | -1.2576 | |
| 186 | N | A | -1.4922 | |
| 187 | F | A | -0.2858 | |
| 188 | A | A | -1.1594 | |
| 189 | D | A | -2.5508 | |
| 190 | P | A | -2.4346 | |
| 191 | E | A | -3.1491 | |
| 192 | T | A | -2.1404 | |
| 193 | T | A | -1.4398 | |
| 194 | Y | A | 0.0000 | |
| 195 | W | A | 0.0000 | |
| 196 | K | A | 0.0000 | |
| 197 | P | A | 0.0000 | |
| 198 | P | A | 0.0000 | |
| 199 | R | A | -2.1508 | |
| 200 | N | A | -1.7415 | |
| 201 | K | A | -2.2094 | |
| 202 | W | A | -1.0552 | |
| 203 | W | A | 0.0000 | |
| 204 | D | A | 0.0000 | |
| 205 | G | A | -0.5947 | |
| 206 | Y | A | 0.0000 | |
| 207 | H | A | -0.6514 | |
| 208 | G | A | -1.2395 | |
| 209 | E | A | -1.9758 | |
| 210 | E | A | -1.5843 | |
| 211 | V | A | 0.0000 | |
| 212 | V | A | 0.0000 | |
| 213 | V | A | 0.0000 | |
| 214 | I | A | 0.0000 | |
| 215 | D | A | 0.0000 | |
| 216 | D | A | -0.1379 | |
| 217 | F | A | 0.0000 | |
| 218 | Y | A | 0.5370 | |
| 219 | G | A | 0.0610 | |
| 220 | W | A | -0.3410 | |
| 221 | L | A | 0.0000 | |
| 222 | P | A | -1.0459 | |
| 223 | W | A | -1.1060 | |
| 224 | D | A | -2.4068 | |
| 225 | D | A | -2.0719 | |
| 226 | L | A | 0.0000 | |
| 227 | L | A | -1.9692 | |
| 228 | R | A | -2.5405 | |
| 229 | L | A | 0.0000 | |
| 230 | C | A | 0.0000 | |
| 231 | D | A | -2.1085 | |
| 232 | R | A | -2.4450 | |
| 233 | Y | A | -0.9511 | |
| 234 | P | A | -1.1085 | |
| 235 | L | A | -0.6336 | |
| 236 | T | A | -0.7156 | |
| 237 | V | A | 0.0000 | |
| 238 | E | A | -2.1705 | |
| 239 | T | A | 0.0000 | |
| 240 | K | A | -1.1375 | |
| 241 | G | A | -1.5636 | |
| 242 | G | A | -1.7622 | |
| 243 | T | A | -1.3602 | |
| 244 | V | A | 0.0000 | |
| 245 | P | A | -0.9838 | |
| 246 | F | A | 0.0000 | |
| 247 | L | A | -1.1611 | |
| 248 | A | A | 0.0000 | |
| 249 | R | A | -1.7183 | |
| 250 | S | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | I | A | 0.0000 | |
| 254 | T | A | 0.0000 | |
| 255 | S | A | 0.0000 | |
| 256 | N | A | -0.5446 | |
| 257 | Q | A | -0.9919 | |
| 258 | T | A | -0.5123 | |
| 259 | P | A | 0.0000 | |
| 260 | L | A | -0.2014 | |
| 261 | E | A | -1.4979 | |
| 262 | W | A | 0.0000 | |
| 263 | Y | A | -0.2102 | |
| 264 | S | A | -0.5878 | |
| 265 | S | A | -0.5795 | |
| 266 | T | A | -0.2080 | |
| 267 | A | A | -0.3390 | |
| 268 | V | A | 0.0000 | |
| 269 | P | A | -0.7812 | |
| 270 | A | A | -0.4266 | |
| 271 | V | A | -0.5796 | |
| 272 | E | A | -0.9641 | |
| 273 | A | A | -1.1435 | |
| 274 | L | A | 0.0000 | |
| 275 | Y | A | 0.0000 | |
| 276 | R | A | -1.7034 | |
| 277 | R | A | -1.7528 | |
| 278 | I | A | 0.0000 | |
| 279 | T | A | -0.5628 | |
| 280 | S | A | -0.6267 | |
| 281 | L | A | 0.0000 | |
| 282 | V | A | -0.3766 | |
| 283 | F | A | -0.5247 | |
| 284 | W | A | -1.1390 | |
| 285 | K | A | -2.2506 | |
| 286 | N | A | -2.1986 | |
| 287 | A | A | -1.4700 | |
| 288 | T | A | -1.6862 | |
| 289 | E | A | -2.6586 | |
| 290 | Q | A | -1.8069 | |
| 291 | S | A | -1.4575 | |
| 292 | T | A | -1.2063 | |
| 293 | E | A | -1.8972 | |
| 294 | E | A | -2.6743 | |
| 295 | G | A | -1.7189 | |
| 296 | G | A | -1.0465 | |
| 297 | Q | A | -1.4667 | |
| 298 | F | A | 0.5359 | |
| 299 | V | A | 1.3948 | |
| 300 | T | A | 0.3517 | |
| 301 | L | A | 0.7662 | |
| 119 | L | B | 0.5472 | |
| 120 | S | B | 0.2438 | |
| 121 | T | B | 0.1003 | |
| 122 | A | B | 0.0000 | |
| 123 | V | B | 0.0000 | |
| 124 | S | B | -0.1267 | |
| 125 | T | B | -0.5185 | |
| 126 | L | B | 0.0000 | |
| 127 | L | B | -0.2591 | |
| 128 | E | B | -1.7087 | |
| 129 | S | B | -0.9428 | |
| 130 | G | B | -0.9470 | |
| 131 | S | B | -0.2808 | |
| 132 | L | B | -0.0415 | |
| 133 | V | B | -0.2384 | |
| 134 | T | B | -0.7866 | |
| 135 | V | B | 0.0000 | |
| 136 | A | B | 0.0000 | |
| 137 | E | B | -2.3014 | |
| 138 | Q | B | -2.1742 | |
| 139 | H | B | -1.3666 | |
| 140 | P | B | -1.0475 | |
| 141 | V | B | -0.5713 | |
| 142 | T | B | 0.0000 | |
| 143 | F | B | 0.0000 | |
| 144 | V | B | 0.0000 | |
| 145 | R | B | -2.5140 | |
| 146 | N | B | -1.6542 | |
| 147 | F | B | -1.2856 | |
| 148 | R | B | -2.0878 | |
| 149 | G | B | 0.0000 | |
| 150 | L | B | 0.0000 | |
| 151 | A | B | -0.5442 | |
| 152 | E | B | -1.0356 | |
| 153 | L | B | 0.0000 | |
| 154 | L | B | -0.6604 | |
| 155 | K | B | -1.0654 | |
| 156 | V | B | 0.0000 | |
| 157 | S | B | -0.9599 | |
| 158 | G | B | -1.8566 | |
| 159 | K | B | -2.5895 | |
| 160 | M | B | -1.5988 | |
| 161 | Q | B | -2.0948 | |
| 162 | K | B | -2.4970 | |
| 163 | R | B | 0.0000 | |
| 164 | D | B | -2.8354 | |
| 165 | W | B | -2.2378 | |
| 166 | K | B | -2.4556 | |
| 167 | T | B | 0.0000 | |
| 168 | N | B | -1.4127 | |
| 169 | V | B | 0.0000 | |
| 170 | H | B | -0.2628 | |
| 171 | V | B | 0.0000 | |
| 172 | I | B | 0.0000 | |
| 173 | V | B | 0.0000 | |
| 174 | G | B | 0.0000 | |
| 175 | P | B | -0.7155 | |
| 176 | P | B | -0.8493 | |
| 177 | G | B | -0.9992 | |
| 178 | C | B | -0.9465 | |
| 179 | G | B | -1.0305 | |
| 180 | K | B | 0.0000 | |
| 181 | S | B | -1.0537 | |
| 182 | K | B | -1.8501 | |
| 183 | W | B | -0.5989 | |
| 184 | A | B | 0.0000 | |
| 185 | A | B | -1.3509 | |
| 186 | N | B | -1.3310 | |
| 187 | F | B | 0.0357 | |
| 188 | A | B | -0.5921 | |
| 189 | D | B | -1.7276 | |
| 190 | P | B | -2.0603 | |
| 191 | E | B | -2.8274 | |
| 192 | T | B | -1.8381 | |
| 193 | T | B | -1.1798 | |
| 194 | Y | B | -0.6333 | |
| 195 | W | B | 0.0000 | |
| 196 | K | B | 0.0000 | |
| 197 | P | B | 0.0000 | |
| 198 | P | B | -1.2041 | |
| 199 | R | B | -2.0572 | |
| 200 | N | B | -1.9650 | |
| 201 | K | B | -2.0313 | |
| 202 | W | B | -1.2030 | |
| 203 | W | B | 0.0000 | |
| 204 | D | B | 0.0000 | |
| 205 | G | B | -0.6241 | |
| 206 | Y | B | 0.0000 | |
| 207 | H | B | -0.9606 | |
| 208 | G | B | -1.3300 | |
| 209 | E | B | -2.2199 | |
| 210 | E | B | -1.7973 | |
| 211 | V | B | 0.0000 | |
| 212 | V | B | 0.0000 | |
| 213 | V | B | 0.0000 | |
| 214 | I | B | 0.0000 | |
| 215 | D | B | 0.0000 | |
| 216 | D | B | -0.2185 | |
| 217 | F | B | 0.0000 | |
| 218 | Y | B | 0.2907 | |
| 219 | G | B | -0.0158 | |
| 220 | W | B | -0.3203 | |
| 221 | L | B | 0.0000 | |
| 222 | P | B | -0.6011 | |
| 223 | W | B | 0.0864 | |
| 224 | D | B | 0.0000 | |
| 225 | D | B | -0.8043 | |
| 226 | L | B | 0.0000 | |
| 227 | L | B | 0.0000 | |
| 228 | R | B | 0.0000 | |
| 229 | L | B | 0.0000 | |
| 230 | C | B | 0.0000 | |
| 231 | D | B | -1.6829 | |
| 232 | R | B | -2.9620 | |
| 233 | Y | B | -1.7848 | |
| 234 | P | B | -1.2637 | |
| 235 | L | B | 0.0000 | |
| 236 | T | B | -0.2970 | |
| 237 | V | B | 0.0000 | |
| 238 | E | B | -0.6916 | |
| 239 | T | B | 0.0000 | |
| 240 | K | B | -1.4562 | |
| 241 | G | B | -1.2490 | |
| 242 | G | B | -0.7734 | |
| 243 | T | B | -0.4337 | |
| 244 | V | B | 0.0000 | |
| 245 | P | B | -0.6233 | |
| 246 | F | B | 0.0000 | |
| 247 | L | B | -1.6031 | |
| 248 | A | B | 0.0000 | |
| 249 | R | B | -2.0772 | |
| 250 | S | B | -1.3520 | |
| 251 | I | B | 0.0000 | |
| 252 | L | B | 0.0000 | |
| 253 | I | B | 0.0000 | |
| 254 | T | B | 0.0000 | |
| 255 | S | B | 0.0000 | |
| 256 | N | B | -0.8158 | |
| 257 | Q | B | -1.3067 | |
| 258 | T | B | -0.6569 | |
| 259 | P | B | 0.0000 | |
| 260 | L | B | -0.6633 | |
| 261 | E | B | -1.7232 | |
| 262 | W | B | 0.0000 | |
| 263 | Y | B | -0.2929 | |
| 264 | S | B | -0.5728 | |
| 265 | S | B | -0.6429 | |
| 266 | T | B | -0.1791 | |
| 267 | A | B | -0.0831 | |
| 268 | V | B | 0.0000 | |
| 269 | P | B | -0.3629 | |
| 270 | A | B | -0.4277 | |
| 271 | V | B | -0.4550 | |
| 272 | E | B | -1.4238 | |
| 273 | A | B | 0.0000 | |
| 274 | L | B | 0.0000 | |
| 275 | Y | B | -0.7791 | |
| 276 | R | B | -1.8147 | |
| 277 | R | B | -1.3366 | |
| 278 | I | B | 0.0000 | |
| 279 | T | B | -0.6609 | |
| 280 | S | B | -0.5452 | |
| 281 | L | B | -0.3909 | |
| 282 | V | B | -0.5604 | |
| 283 | F | B | -0.7881 | |
| 284 | W | B | -1.5419 | |
| 285 | K | B | -2.7991 | |
| 286 | N | B | -2.3903 | |
| 287 | A | B | -1.5284 | |
| 288 | T | B | -1.8292 | |
| 289 | E | B | -2.7073 | |
| 290 | Q | B | -1.9225 | |
| 291 | S | B | -1.7018 | |
| 292 | T | B | -1.4242 | |
| 293 | E | B | -2.3852 | |
| 294 | E | B | -2.4589 | |
| 295 | G | B | -1.3789 | |
| 296 | G | B | -0.9329 | |
| 297 | Q | B | -0.8513 | |
| 298 | F | B | 1.2863 | |
| 299 | V | B | 0.7029 | |
| 300 | T | B | -0.2772 | |
| 301 | L | B | -0.4863 | |
| 119 | L | C | -0.3547 | |
| 120 | S | C | -0.0626 | |
| 121 | T | C | -0.2057 | |
| 122 | A | C | 0.0000 | |
| 123 | V | C | 0.0000 | |
| 124 | S | C | -0.5053 | |
| 125 | T | C | -0.8314 | |
| 126 | L | C | 0.0000 | |
| 127 | L | C | -1.3485 | |
| 128 | E | C | -2.1356 | |
| 129 | S | C | -1.2605 | |
| 130 | G | C | -1.3685 | |
| 131 | S | C | -0.6262 | |
| 132 | L | C | 0.0000 | |
| 133 | V | C | -0.5857 | |
| 134 | T | C | -0.7995 | |
| 135 | V | C | 0.0000 | |
| 136 | A | C | 0.0000 | |
| 137 | E | C | -2.2947 | |
| 138 | Q | C | -1.9540 | |
| 139 | H | C | -1.6525 | |
| 140 | P | C | -1.1277 | |
| 141 | V | C | -0.4155 | |
| 142 | T | C | -0.7400 | |
| 143 | F | C | 0.0000 | |
| 144 | V | C | 0.0000 | |
| 145 | R | C | -2.7032 | |
| 146 | N | C | -2.3204 | |
| 147 | F | C | -2.0894 | |
| 148 | R | C | -2.8620 | |
| 149 | G | C | 0.0000 | |
| 150 | L | C | 0.0000 | |
| 151 | A | C | -0.8486 | |
| 152 | E | C | -1.1864 | |
| 153 | L | C | 0.0000 | |
| 154 | L | C | 0.0000 | |
| 155 | K | C | -1.0859 | |
| 156 | V | C | 0.0000 | |
| 157 | S | C | -1.1844 | |
| 158 | G | C | -1.9157 | |
| 159 | K | C | -2.7928 | |
| 160 | M | C | -1.5098 | |
| 161 | Q | C | -1.8734 | |
| 162 | K | C | -2.2424 | |
| 163 | R | C | 0.0000 | |
| 164 | D | C | -2.7423 | |
| 165 | W | C | -2.2408 | |
| 166 | K | C | -2.9100 | |
| 167 | T | C | 0.0000 | |
| 168 | N | C | -1.4669 | |
| 169 | V | C | 0.0000 | |
| 170 | H | C | -0.2619 | |
| 171 | V | C | 0.0000 | |
| 172 | I | C | 0.0000 | |
| 173 | V | C | 0.0000 | |
| 174 | G | C | 0.0000 | |
| 175 | P | C | -0.7363 | |
| 176 | P | C | -0.8475 | |
| 177 | G | C | -1.0399 | |
| 178 | C | C | -0.7503 | |
| 179 | G | C | -0.9189 | |
| 180 | K | C | 0.0000 | |
| 181 | S | C | -1.0557 | |
| 182 | K | C | -1.6447 | |
| 183 | W | C | -0.6943 | |
| 184 | A | C | 0.0000 | |
| 185 | A | C | -1.2958 | |
| 186 | N | C | -1.5392 | |
| 187 | F | C | -0.3301 | |
| 188 | A | C | -1.3234 | |
| 189 | D | C | -2.6012 | |
| 190 | P | C | -2.5800 | |
| 191 | E | C | -3.1750 | |
| 192 | T | C | -2.4890 | |
| 193 | T | C | 0.0000 | |
| 194 | Y | C | -0.8589 | |
| 195 | W | C | 0.0000 | |
| 196 | K | C | 0.0000 | |
| 197 | P | C | 0.0000 | |
| 198 | P | C | 0.0000 | |
| 199 | R | C | -1.2299 | |
| 200 | N | C | -1.1465 | |
| 201 | K | C | -1.5812 | |
| 202 | W | C | -0.9266 | |
| 203 | W | C | 0.0000 | |
| 204 | D | C | 0.0000 | |
| 205 | G | C | -0.7613 | |
| 206 | Y | C | 0.0000 | |
| 207 | H | C | -1.1332 | |
| 208 | G | C | -1.4586 | |
| 209 | E | C | -2.6762 | |
| 210 | E | C | -2.3949 | |
| 211 | V | C | 0.0000 | |
| 212 | V | C | 0.0000 | |
| 213 | V | C | 0.0000 | |
| 214 | I | C | 0.0000 | |
| 215 | D | C | -0.3593 | |
| 216 | D | C | -0.6335 | |
| 217 | F | C | 0.0000 | |
| 218 | Y | C | -0.3051 | |
| 219 | G | C | -0.3433 | |
| 220 | W | C | 0.0000 | |
| 221 | L | C | 0.0000 | |
| 222 | P | C | -0.4612 | |
| 223 | W | C | 0.0527 | |
| 224 | D | C | 0.0000 | |
| 225 | D | C | -0.7640 | |
| 226 | L | C | 0.0000 | |
| 227 | L | C | 0.0000 | |
| 228 | R | C | 0.0000 | |
| 229 | L | C | 0.0000 | |
| 230 | C | C | 0.0000 | |
| 231 | D | C | -1.6687 | |
| 232 | R | C | -2.7271 | |
| 233 | Y | C | -1.7595 | |
| 234 | P | C | -1.0378 | |
| 235 | L | C | 0.0000 | |
| 236 | T | C | -0.3597 | |
| 237 | V | C | 0.0000 | |
| 238 | E | C | -1.1909 | |
| 239 | T | C | -1.0351 | |
| 240 | K | C | -1.2571 | |
| 241 | G | C | -1.2936 | |
| 242 | G | C | -1.0461 | |
| 243 | T | C | -0.7199 | |
| 244 | V | C | 0.0000 | |
| 245 | P | C | -0.5629 | |
| 246 | F | C | 0.0000 | |
| 247 | L | C | -1.4714 | |
| 248 | A | C | 0.0000 | |
| 249 | R | C | -2.3235 | |
| 250 | S | C | 0.0000 | |
| 251 | I | C | 0.0000 | |
| 252 | L | C | 0.0000 | |
| 253 | I | C | 0.0000 | |
| 254 | T | C | 0.0000 | |
| 255 | S | C | 0.0000 | |
| 256 | N | C | -1.2044 | |
| 257 | Q | C | -1.1318 | |
| 258 | T | C | -0.4882 | |
| 259 | P | C | 0.0000 | |
| 260 | L | C | 0.2203 | |
| 261 | E | C | -1.5407 | |
| 262 | W | C | 0.0000 | |
| 263 | Y | C | -0.1540 | |
| 264 | S | C | -0.3825 | |
| 265 | S | C | -0.3650 | |
| 266 | T | C | -0.1210 | |
| 267 | A | C | 0.0170 | |
| 268 | V | C | -0.0074 | |
| 269 | P | C | -0.3334 | |
| 270 | A | C | -0.3420 | |
| 271 | V | C | -0.0507 | |
| 272 | E | C | -1.0182 | |
| 273 | A | C | 0.0000 | |
| 274 | L | C | 0.0000 | |
| 275 | Y | C | 0.0000 | |
| 276 | R | C | -1.5880 | |
| 277 | R | C | -1.5838 | |
| 278 | I | C | 0.0000 | |
| 279 | T | C | -0.5820 | |
| 280 | S | C | -0.4698 | |
| 281 | L | C | 0.0000 | |
| 282 | V | C | -0.2990 | |
| 283 | F | C | -0.4772 | |
| 284 | W | C | -1.2972 | |
| 285 | K | C | -2.3000 | |
| 286 | N | C | -2.2569 | |
| 287 | A | C | -1.4542 | |
| 288 | T | C | -1.6312 | |
| 289 | E | C | -2.4504 | |
| 290 | Q | C | -1.5636 | |
| 291 | S | C | -1.2306 | |
| 292 | T | C | -0.9916 | |
| 293 | E | C | -1.6691 | |
| 294 | E | C | -2.3013 | |
| 295 | G | C | 0.0000 | |
| 296 | G | C | -1.2068 | |
| 297 | Q | C | -1.3571 | |
| 298 | F | C | 0.1221 | |
| 299 | V | C | 1.4837 | |
| 300 | T | C | 0.2904 | |
| 301 | L | C | 0.3765 | |
| 119 | L | D | 0.3710 | |
| 120 | S | D | 0.1290 | |
| 121 | T | D | -0.1300 | |
| 122 | A | D | 0.0000 | |
| 123 | V | D | 0.0000 | |
| 124 | S | D | -0.5543 | |
| 125 | T | D | -0.8324 | |
| 126 | L | D | 0.0000 | |
| 127 | L | D | -1.3924 | |
| 128 | E | D | -2.1381 | |
| 129 | S | D | -1.4966 | |
| 130 | G | D | -0.9109 | |
| 131 | S | D | -0.6452 | |
| 132 | L | D | -0.1282 | |
| 133 | V | D | -0.4939 | |
| 134 | T | D | -0.8892 | |
| 135 | V | D | 0.0000 | |
| 136 | A | D | 0.0000 | |
| 137 | E | D | -2.3623 | |
| 138 | Q | D | -2.0345 | |
| 139 | H | D | -0.9856 | |
| 140 | P | D | -0.6894 | |
| 141 | V | D | 0.2766 | |
| 142 | T | D | -0.1170 | |
| 143 | F | D | 0.0000 | |
| 144 | V | D | 0.0000 | |
| 145 | R | D | -1.6030 | |
| 146 | N | D | -1.4405 | |
| 147 | F | D | -1.5623 | |
| 148 | R | D | -2.6276 | |
| 149 | G | D | 0.0000 | |
| 150 | L | D | 0.0000 | |
| 151 | A | D | 0.0000 | |
| 152 | E | D | -1.2707 | |
| 153 | L | D | 0.0000 | |
| 154 | L | D | 0.0000 | |
| 155 | K | D | -1.4649 | |
| 156 | V | D | 0.0000 | |
| 157 | S | D | -1.5263 | |
| 158 | G | D | -2.3479 | |
| 159 | K | D | -2.8600 | |
| 160 | M | D | -1.6173 | |
| 161 | Q | D | -1.6621 | |
| 162 | K | D | -1.6531 | |
| 163 | R | D | 0.0000 | |
| 164 | D | D | -2.2891 | |
| 165 | W | D | -1.6907 | |
| 166 | K | D | -1.9941 | |
| 167 | T | D | 0.0000 | |
| 168 | N | D | -1.3154 | |
| 169 | V | D | 0.0000 | |
| 170 | H | D | -0.2924 | |
| 171 | V | D | 0.0000 | |
| 172 | I | D | 0.0000 | |
| 173 | V | D | 0.0000 | |
| 174 | G | D | 0.0000 | |
| 175 | P | D | -0.6673 | |
| 176 | P | D | -0.7499 | |
| 177 | G | D | -1.2212 | |
| 178 | C | D | -0.7413 | |
| 179 | G | D | -0.9136 | |
| 180 | K | D | 0.0000 | |
| 181 | S | D | -1.3485 | |
| 182 | K | D | -2.1283 | |
| 183 | W | D | -0.8830 | |
| 184 | A | D | 0.0000 | |
| 185 | A | D | -1.5588 | |
| 186 | N | D | -1.6621 | |
| 187 | F | D | -0.4257 | |
| 188 | A | D | -1.3927 | |
| 189 | D | D | -2.6064 | |
| 190 | P | D | -2.4112 | |
| 191 | E | D | -3.0897 | |
| 192 | T | D | -2.1383 | |
| 193 | T | D | 0.0000 | |
| 194 | Y | D | 0.0000 | |
| 195 | W | D | 0.0611 | |
| 196 | K | D | 0.0000 | |
| 197 | P | D | 0.0000 | |
| 198 | P | D | 0.0000 | |
| 199 | R | D | -1.7845 | |
| 200 | N | D | -1.4562 | |
| 201 | K | D | -1.6657 | |
| 202 | W | D | -1.0046 | |
| 203 | W | D | 0.0000 | |
| 204 | D | D | -0.8310 | |
| 205 | G | D | -0.8780 | |
| 206 | Y | D | 0.0000 | |
| 207 | H | D | -0.9629 | |
| 208 | G | D | -0.9912 | |
| 209 | E | D | -1.7978 | |
| 210 | E | D | -2.3884 | |
| 211 | V | D | 0.0000 | |
| 212 | V | D | 0.0000 | |
| 213 | V | D | 0.0000 | |
| 214 | I | D | 0.0000 | |
| 215 | D | D | -0.3001 | |
| 216 | D | D | -0.5217 | |
| 217 | F | D | 0.0000 | |
| 218 | Y | D | -0.1171 | |
| 219 | G | D | -0.2416 | |
| 220 | W | D | -0.4495 | |
| 221 | L | D | 0.0000 | |
| 222 | P | D | -0.3161 | |
| 223 | W | D | -0.0247 | |
| 224 | D | D | -0.4144 | |
| 225 | D | D | -0.6099 | |
| 226 | L | D | 0.0000 | |
| 227 | L | D | -0.4780 | |
| 228 | R | D | -0.5372 | |
| 229 | L | D | 0.0000 | |
| 230 | C | D | 0.0000 | |
| 231 | D | D | -1.4554 | |
| 232 | R | D | -2.2078 | |
| 233 | Y | D | -1.4265 | |
| 234 | P | D | -0.8442 | |
| 235 | L | D | -0.3524 | |
| 236 | T | D | -0.1178 | |
| 237 | V | D | 0.0000 | |
| 238 | E | D | -0.6277 | |
| 239 | T | D | -0.8007 | |
| 240 | K | D | -1.2146 | |
| 241 | G | D | -1.0909 | |
| 242 | G | D | -0.7533 | |
| 243 | T | D | -0.4987 | |
| 244 | V | D | 0.0000 | |
| 245 | P | D | -0.3673 | |
| 246 | F | D | 0.0000 | |
| 247 | L | D | -1.0414 | |
| 248 | A | D | 0.0000 | |
| 249 | R | D | -2.1365 | |
| 250 | S | D | 0.0000 | |
| 251 | I | D | 0.0000 | |
| 252 | L | D | 0.0000 | |
| 253 | I | D | 0.0000 | |
| 254 | T | D | 0.0000 | |
| 255 | S | D | 0.0000 | |
| 256 | N | D | -0.7342 | |
| 257 | Q | D | -0.7308 | |
| 258 | T | D | -0.3366 | |
| 259 | P | D | 0.0000 | |
| 260 | L | D | -0.0056 | |
| 261 | E | D | -1.4385 | |
| 262 | W | D | 0.0000 | |
| 263 | Y | D | -0.1712 | |
| 264 | S | D | -0.4264 | |
| 265 | S | D | -0.3295 | |
| 266 | T | D | -0.1838 | |
| 267 | A | D | -0.0585 | |
| 268 | V | D | 0.0000 | |
| 269 | P | D | -0.5133 | |
| 270 | A | D | -0.5350 | |
| 271 | V | D | -0.4751 | |
| 272 | E | D | -1.5639 | |
| 273 | A | D | 0.0000 | |
| 274 | L | D | 0.0000 | |
| 275 | Y | D | 0.0000 | |
| 276 | R | D | -2.0392 | |
| 277 | R | D | -1.5863 | |
| 278 | I | D | 0.0000 | |
| 279 | T | D | -0.5897 | |
| 280 | S | D | -0.4411 | |
| 281 | L | D | 0.0000 | |
| 282 | V | D | -0.2401 | |
| 283 | F | D | -0.4180 | |
| 284 | W | D | -1.2405 | |
| 285 | K | D | -2.4890 | |
| 286 | N | D | -2.3348 | |
| 287 | A | D | -1.7692 | |
| 288 | T | D | -1.5489 | |
| 289 | E | D | -2.3949 | |
| 290 | Q | D | -1.5495 | |
| 291 | S | D | -1.1065 | |
| 292 | T | D | -0.7803 | |
| 293 | E | D | -1.3790 | |
| 294 | E | D | -2.2825 | |
| 295 | G | D | -1.3676 | |
| 296 | G | D | -0.8975 | |
| 297 | Q | D | -1.2988 | |
| 298 | F | D | 0.2853 | |
| 299 | V | D | 0.5642 | |
| 300 | T | D | -0.3475 | |
| 301 | L | D | -0.4341 | |
| 119 | L | E | 0.3466 | |
| 120 | S | E | 0.0896 | |
| 121 | T | E | -0.1825 | |
| 122 | A | E | 0.0000 | |
| 123 | V | E | 0.0000 | |
| 124 | S | E | -0.5268 | |
| 125 | T | E | -0.8446 | |
| 126 | L | E | 0.0000 | |
| 127 | L | E | -1.1514 | |
| 128 | E | E | -2.1400 | |
| 129 | S | E | -1.2829 | |
| 130 | G | E | -1.2365 | |
| 131 | S | E | -0.5163 | |
| 132 | L | E | 0.0957 | |
| 133 | V | E | -0.2949 | |
| 134 | T | E | -0.7920 | |
| 135 | V | E | 0.0000 | |
| 136 | A | E | 0.0000 | |
| 137 | E | E | -2.1572 | |
| 138 | Q | E | -1.9439 | |
| 139 | H | E | -0.8431 | |
| 140 | P | E | -0.1885 | |
| 141 | V | E | 1.0718 | |
| 142 | T | E | 0.0699 | |
| 143 | F | E | 0.0000 | |
| 144 | V | E | 0.0000 | |
| 145 | R | E | -2.1216 | |
| 146 | N | E | -1.6862 | |
| 147 | F | E | -1.7206 | |
| 148 | R | E | -2.7207 | |
| 149 | G | E | 0.0000 | |
| 150 | L | E | 0.0000 | |
| 151 | A | E | -0.9947 | |
| 152 | E | E | -1.3908 | |
| 153 | L | E | 0.0000 | |
| 154 | L | E | 0.0000 | |
| 155 | K | E | -1.4181 | |
| 156 | V | E | 0.0000 | |
| 157 | S | E | -1.1477 | |
| 158 | G | E | -1.9509 | |
| 159 | K | E | -2.7382 | |
| 160 | M | E | -1.6572 | |
| 161 | Q | E | -1.6857 | |
| 162 | K | E | -1.5951 | |
| 163 | R | E | 0.0000 | |
| 164 | D | E | -2.5358 | |
| 165 | W | E | -1.8547 | |
| 166 | K | E | -2.0488 | |
| 167 | T | E | 0.0000 | |
| 168 | N | E | -1.2590 | |
| 169 | V | E | 0.0000 | |
| 170 | H | E | -0.3046 | |
| 171 | V | E | 0.0000 | |
| 172 | I | E | 0.0000 | |
| 173 | V | E | 0.0000 | |
| 174 | G | E | 0.0000 | |
| 175 | P | E | -0.9158 | |
| 176 | P | E | -0.5591 | |
| 177 | G | E | -1.2310 | |
| 178 | C | E | -1.0077 | |
| 179 | G | E | -1.1863 | |
| 180 | K | E | -0.8254 | |
| 181 | S | E | -1.2754 | |
| 182 | K | E | -2.0802 | |
| 183 | W | E | -0.9800 | |
| 184 | A | E | 0.0000 | |
| 185 | A | E | -1.5394 | |
| 186 | N | E | -1.6028 | |
| 187 | F | E | -0.4976 | |
| 188 | A | E | -1.1593 | |
| 189 | D | E | -2.3580 | |
| 190 | P | E | -2.1749 | |
| 191 | E | E | -2.7879 | |
| 192 | T | E | -2.0518 | |
| 193 | T | E | 0.0000 | |
| 194 | Y | E | -0.7983 | |
| 195 | W | E | 0.1499 | |
| 196 | K | E | 0.0000 | |
| 197 | P | E | 0.0000 | |
| 198 | P | E | -1.1998 | |
| 199 | R | E | -2.0986 | |
| 200 | N | E | -1.8789 | |
| 201 | K | E | -2.1624 | |
| 202 | W | E | -1.2176 | |
| 203 | W | E | 0.0000 | |
| 204 | D | E | -1.0219 | |
| 205 | G | E | -0.7624 | |
| 206 | Y | E | 0.0000 | |
| 207 | H | E | -1.4053 | |
| 208 | G | E | -1.3464 | |
| 209 | E | E | -1.8742 | |
| 210 | E | E | -2.3473 | |
| 211 | V | E | 0.0000 | |
| 212 | V | E | 0.0000 | |
| 213 | V | E | 0.0000 | |
| 214 | I | E | 0.0000 | |
| 215 | D | E | 0.0000 | |
| 216 | D | E | 0.0000 | |
| 217 | F | E | 0.0000 | |
| 218 | Y | E | 0.1893 | |
| 219 | G | E | -0.0091 | |
| 220 | W | E | -0.3885 | |
| 221 | L | E | 0.0000 | |
| 222 | P | E | -0.3165 | |
| 223 | W | E | 0.0396 | |
| 224 | D | E | -0.4492 | |
| 225 | D | E | -0.7207 | |
| 226 | L | E | 0.0000 | |
| 227 | L | E | -0.2998 | |
| 228 | R | E | 0.0000 | |
| 229 | L | E | 0.0000 | |
| 230 | C | E | 0.0000 | |
| 231 | D | E | -1.6342 | |
| 232 | R | E | -2.8559 | |
| 233 | Y | E | -1.7421 | |
| 234 | P | E | -0.9964 | |
| 235 | L | E | -0.3261 | |
| 236 | T | E | -0.0594 | |
| 237 | V | E | 0.0000 | |
| 238 | E | E | -0.6793 | |
| 239 | T | E | -0.7778 | |
| 240 | K | E | -1.2877 | |
| 241 | G | E | -0.9684 | |
| 242 | G | E | -0.6944 | |
| 243 | T | E | -0.3317 | |
| 244 | V | E | -0.2730 | |
| 245 | P | E | -0.3586 | |
| 246 | F | E | 0.0000 | |
| 247 | L | E | -1.1624 | |
| 248 | A | E | 0.0000 | |
| 249 | R | E | -1.7823 | |
| 250 | S | E | 0.0000 | |
| 251 | I | E | 0.0000 | |
| 252 | L | E | 0.0000 | |
| 253 | I | E | 0.0000 | |
| 254 | T | E | 0.0000 | |
| 255 | S | E | 0.0000 | |
| 256 | N | E | -0.8143 | |
| 257 | Q | E | -1.3350 | |
| 258 | T | E | -0.7742 | |
| 259 | P | E | 0.0000 | |
| 260 | L | E | -0.3060 | |
| 261 | E | E | -1.7169 | |
| 262 | W | E | 0.0000 | |
| 263 | Y | E | -0.2755 | |
| 264 | S | E | -0.6033 | |
| 265 | S | E | -0.4534 | |
| 266 | T | E | -0.1285 | |
| 267 | A | E | -0.0177 | |
| 268 | V | E | 0.0000 | |
| 269 | P | E | -0.2468 | |
| 270 | A | E | -0.2643 | |
| 271 | V | E | -0.1673 | |
| 272 | E | E | -1.7307 | |
| 273 | A | E | 0.0000 | |
| 274 | L | E | 0.0000 | |
| 275 | Y | E | -0.7132 | |
| 276 | R | E | -2.0096 | |
| 277 | R | E | -1.4451 | |
| 278 | I | E | 0.0000 | |
| 279 | T | E | -0.4969 | |
| 280 | S | E | -0.4391 | |
| 281 | L | E | 0.0000 | |
| 282 | V | E | -0.3632 | |
| 283 | F | E | -0.7423 | |
| 284 | W | E | -1.4527 | |
| 285 | K | E | -2.7406 | |
| 286 | N | E | -2.4351 | |
| 287 | A | E | -1.5463 | |
| 288 | T | E | -1.7967 | |
| 289 | E | E | -2.5872 | |
| 290 | Q | E | -1.6273 | |
| 291 | S | E | -1.2875 | |
| 292 | T | E | -1.0434 | |
| 293 | E | E | -1.5519 | |
| 294 | E | E | -2.3186 | |
| 295 | G | E | -1.2174 | |
| 296 | G | E | -1.2694 | |
| 297 | Q | E | -1.4422 | |
| 298 | F | E | 0.0474 | |
| 299 | V | E | 0.2340 | |
| 300 | T | E | -0.4028 | |
| 301 | L | E | -0.1437 | |
| 119 | L | F | 1.5218 | |
| 120 | S | F | 0.9095 | |
| 121 | T | F | 0.6068 | |
| 122 | A | F | 0.0000 | |
| 123 | V | F | 0.0000 | |
| 124 | S | F | 0.2053 | |
| 125 | T | F | -0.5424 | |
| 126 | L | F | 0.0000 | |
| 127 | L | F | 0.3828 | |
| 128 | E | F | -1.3196 | |
| 129 | S | F | -0.6251 | |
| 130 | G | F | -0.4221 | |
| 131 | S | F | 0.1776 | |
| 132 | L | F | 0.5757 | |
| 133 | V | F | 0.6058 | |
| 134 | T | F | -0.4891 | |
| 135 | V | F | 0.0000 | |
| 136 | A | F | 0.0000 | |
| 137 | E | F | -1.9933 | |
| 138 | Q | F | -1.9540 | |
| 139 | H | F | -0.8218 | |
| 140 | P | F | -0.6329 | |
| 141 | V | F | 0.3559 | |
| 142 | T | F | 0.0289 | |
| 143 | F | F | 0.0000 | |
| 144 | V | F | 0.0000 | |
| 145 | R | F | -2.1275 | |
| 146 | N | F | -1.6788 | |
| 147 | F | F | -1.8612 | |
| 148 | R | F | -2.6668 | |
| 149 | G | F | 0.0000 | |
| 150 | L | F | 0.0000 | |
| 151 | A | F | -1.1239 | |
| 152 | E | F | -1.6118 | |
| 153 | L | F | 0.0000 | |
| 154 | L | F | -0.8434 | |
| 155 | K | F | -1.9059 | |
| 156 | V | F | -1.2024 | |
| 157 | S | F | -0.9914 | |
| 158 | G | F | -1.3558 | |
| 159 | K | F | -2.3875 | |
| 160 | M | F | -1.1526 | |
| 161 | Q | F | -1.6307 | |
| 162 | K | F | -1.7017 | |
| 163 | R | F | 0.0000 | |
| 164 | D | F | -2.3510 | |
| 165 | W | F | -1.8447 | |
| 166 | K | F | -2.0558 | |
| 167 | T | F | 0.0000 | |
| 168 | N | F | -1.2340 | |
| 169 | V | F | 0.0000 | |
| 170 | H | F | -0.2256 | |
| 171 | V | F | 0.0000 | |
| 172 | I | F | 0.0000 | |
| 173 | V | F | 0.0000 | |
| 174 | G | F | 0.0000 | |
| 175 | P | F | -0.9704 | |
| 176 | P | F | -0.9031 | |
| 177 | G | F | -0.7840 | |
| 178 | C | F | -1.0240 | |
| 179 | G | F | -1.2529 | |
| 180 | K | F | -1.2217 | |
| 181 | S | F | -1.3821 | |
| 182 | K | F | -1.9959 | |
| 183 | W | F | -1.0152 | |
| 184 | A | F | 0.0000 | |
| 185 | A | F | -1.4822 | |
| 186 | N | F | -1.7041 | |
| 187 | F | F | -0.4169 | |
| 188 | A | F | -1.2826 | |
| 189 | D | F | -2.6036 | |
| 190 | P | F | -2.0557 | |
| 191 | E | F | -2.4244 | |
| 192 | T | F | -1.8895 | |
| 193 | T | F | -1.1160 | |
| 194 | Y | F | -0.4340 | |
| 195 | W | F | 0.3758 | |
| 196 | K | F | 0.0000 | |
| 197 | P | F | -1.0715 | |
| 198 | P | F | -1.5646 | |
| 199 | R | F | -2.4184 | |
| 200 | N | F | -2.0896 | |
| 201 | K | F | -2.4073 | |
| 202 | W | F | -1.5489 | |
| 203 | W | F | 0.0000 | |
| 204 | D | F | -1.3787 | |
| 205 | G | F | -1.2175 | |
| 206 | Y | F | -0.8641 | |
| 207 | H | F | -1.3795 | |
| 208 | G | F | -1.0611 | |
| 209 | E | F | -1.6736 | |
| 210 | E | F | -1.8596 | |
| 211 | V | F | 0.0000 | |
| 212 | V | F | 0.0000 | |
| 213 | V | F | 0.0000 | |
| 214 | I | F | 0.0000 | |
| 215 | D | F | -0.8424 | |
| 216 | D | F | -1.2754 | |
| 217 | F | F | 0.0000 | |
| 218 | Y | F | -0.0363 | |
| 219 | G | F | -0.1153 | |
| 220 | W | F | -0.3273 | |
| 221 | L | F | 0.0000 | |
| 222 | P | F | -0.4424 | |
| 223 | W | F | 0.1714 | |
| 224 | D | F | 0.0000 | |
| 225 | D | F | -0.5815 | |
| 226 | L | F | 0.0000 | |
| 227 | L | F | 0.0000 | |
| 228 | R | F | 0.0000 | |
| 229 | L | F | 0.0000 | |
| 230 | C | F | 0.0000 | |
| 231 | D | F | -1.4688 | |
| 232 | R | F | -2.1691 | |
| 233 | Y | F | -1.4081 | |
| 234 | P | F | -0.8869 | |
| 235 | L | F | 0.0000 | |
| 236 | T | F | -0.2162 | |
| 237 | V | F | 0.0000 | |
| 238 | E | F | -1.2083 | |
| 239 | T | F | -1.5340 | |
| 240 | K | F | -2.3214 | |
| 241 | G | F | -1.5557 | |
| 242 | G | F | -1.1872 | |
| 243 | T | F | -0.7738 | |
| 244 | V | F | -0.4642 | |
| 245 | P | F | -0.4918 | |
| 246 | F | F | 0.0000 | |
| 247 | L | F | 0.0000 | |
| 248 | A | F | 0.0000 | |
| 249 | R | F | -2.2047 | |
| 250 | S | F | 0.0000 | |
| 251 | I | F | 0.0000 | |
| 252 | L | F | 0.0000 | |
| 253 | I | F | 0.0000 | |
| 254 | T | F | 0.0000 | |
| 255 | S | F | 0.0000 | |
| 256 | N | F | -1.2627 | |
| 257 | Q | F | -1.5567 | |
| 258 | T | F | -0.6816 | |
| 259 | P | F | 0.0000 | |
| 260 | L | F | -0.0751 | |
| 261 | E | F | -1.4280 | |
| 262 | W | F | 0.0000 | |
| 263 | Y | F | 0.0620 | |
| 264 | S | F | -0.2774 | |
| 265 | S | F | -0.2618 | |
| 266 | T | F | -0.0419 | |
| 267 | A | F | 0.0761 | |
| 268 | V | F | 0.0000 | |
| 269 | P | F | -0.0764 | |
| 270 | A | F | 0.0135 | |
| 271 | V | F | 0.3623 | |
| 272 | E | F | -1.4062 | |
| 273 | A | F | -1.1744 | |
| 274 | L | F | 0.0000 | |
| 275 | Y | F | -0.7743 | |
| 276 | R | F | -2.0978 | |
| 277 | R | F | -1.6145 | |
| 278 | I | F | 0.0000 | |
| 279 | T | F | -0.5423 | |
| 280 | S | F | -0.3935 | |
| 281 | L | F | -0.2279 | |
| 282 | V | F | 0.0000 | |
| 283 | F | F | -0.6588 | |
| 284 | W | F | -1.3807 | |
| 285 | K | F | -2.3821 | |
| 286 | N | F | -2.2197 | |
| 287 | A | F | -1.5067 | |
| 288 | T | F | -1.7473 | |
| 289 | E | F | -2.4644 | |
| 290 | Q | F | -1.5211 | |
| 291 | S | F | -1.2731 | |
| 292 | T | F | -1.0348 | |
| 293 | E | F | -1.4908 | |
| 294 | E | F | -2.1129 | |
| 295 | G | F | -0.9049 | |
| 296 | G | F | -0.9770 | |
| 297 | Q | F | -0.8166 | |
| 298 | F | F | 1.2837 | |
| 299 | V | F | 0.8433 | |
| 300 | T | F | -0.0700 | |
| 301 | L | F | 0.0857 |
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 | -0.5983 | 3.9962 | View | CSV | PDB |
| 4.5 | -0.6534 | 3.9668 | View | CSV | PDB |
| 5.0 | -0.7249 | 3.921 | View | CSV | PDB |
| 5.5 | -0.7984 | 3.8659 | View | CSV | PDB |
| 6.0 | -0.8584 | 3.8104 | View | CSV | PDB |
| 6.5 | -0.893 | 3.7633 | View | CSV | PDB |
| 7.0 | -0.8995 | 3.7322 | View | CSV | PDB |
| 7.5 | -0.8851 | 3.717 | View | CSV | PDB |
| 8.0 | -0.8591 | 3.7112 | View | CSV | PDB |
| 8.5 | -0.8263 | 3.7092 | View | CSV | PDB |
| 9.0 | -0.7881 | 3.7086 | 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