| Chain sequence(s) |
A: MAHYRNDYKKNDEVEFVRTGYGKDMIKVLHIQRDGKYHSIKEVATSVQLTLSSKKDYLHGDNSDVIPTDTIKNTVNVLAKFKGIKSIETFAVTICEHFLSSFKHVIRAQVYVEEVPWKRFEKNGVKHVHAFIYTPTGTHFCEVEQIRNGPPVIHSGIKDLKVLKTTQSGFEGFIKDQFTTLPEVKDRCFATQVYCKWRYHQGRDVDFEATWDTVRSIVLQKFAGPYDKGEYSPSVQKTLYDIQVLTLGQVPEIEDMEISLPNIHYLNIDMSKMGLINKEEVLLPLDNPYGRITGTVKRKLTSRL
C: MAHYRNDYKKNDEVEFVRTGYGKDMIKVLHIQRDGKYHSIKEVATSVQLTLSSKKDYLHGDNSDVIPTDTIKNTVNVLAKFKGIKSIETFAVTICEHFLSSFKHVIRAQVYVEEVPWKRFEKNGVKHVHAFIYTPTGTHFCEVEQIRNGPPVIHSGIKDLKVLKTTQSGFEGFIKDQFTTLPEVKDRCFATQVYCKWRYHQGRDVDFEATWDTVRSIVLQKFAGPYDKGEYSPSVQKTLYDIQVLTLGQVPEIEDMEISLPNIHYLNIDMSKMGLINKEEVLLPLDNPYGRITGTVKRKLTSRL B: MAHYRNDYKKNDEVEFVRTGYGKDMIKVLHIQRDGKYHSIKEVATSVQLTLSSKKDYLHGDNSDVIPTDTIKNTVNVLAKFKGIKSIETFAVTICEHFLSSFKHVIRAQVYVEEVPWKRFEKNGVKHVHAFIYTPTGTHFCEVEQIRNGPPVIHSGIKDLKVLKTTQSGFEGFIKDQFTTLPEVKDRCFATQVYCKWRYHQGRDVDFEATWDTVRSIVLQKFAGPYDKGEYSPSVQKTLYDIQVLTLGQVPEIEDMEISLPNIHYLNIDMSKMGLINKEEVLLPLDNPYGRITGTVKRKLTSRL D: MAHYRNDYKKNDEVEFVRTGYGKDMIKVLHIQRDGKYHSIKEVATSVQLTLSSKKDYLHGDNSDVIPTDTIKNTVNVLAKFKGIKSIETFAVTICEHFLSSFKHVIRAQVYVEEVPWKRFEKNGVKHVHAFIYTPTGTHFCEVEQIRNGPPVIHSGIKDLKVLKTTQSGFEGFIKDQFTTLPEVKDRCFATQVYCKWRYHQGRDVDFEATWDTVRSIVLQKFAGPYDKGEYSPSVQKTLYDIQVLTLGQVPEIEDMEISLPNIHYLNIDMSKMGLINKEEVLLPLDNPYGRITGTVKRKLTSRL 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. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:28:04)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/cbca25a80f52c3d/tmp/folded.pdb (00:28:04)
[INFO] Main: Simulation completed successfully. (00:36:11)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 0.6123 | |
| 2 | A | A | -0.4651 | |
| 3 | H | A | -0.9763 | |
| 4 | Y | A | -0.1975 | |
| 5 | R | A | -2.0984 | |
| 6 | N | A | -2.5415 | |
| 7 | D | A | -1.9954 | |
| 8 | Y | A | -1.3727 | |
| 9 | K | A | -3.0909 | |
| 10 | K | A | -2.9199 | |
| 11 | N | A | -2.5345 | |
| 12 | D | A | -3.3679 | |
| 13 | E | A | -2.9421 | |
| 14 | V | A | 0.0000 | |
| 15 | E | A | -1.9582 | |
| 16 | F | A | -0.5049 | |
| 17 | V | A | 0.2090 | |
| 18 | R | A | -1.1215 | |
| 19 | T | A | 0.0000 | |
| 20 | G | A | 0.0000 | |
| 21 | Y | A | 0.0000 | |
| 22 | G | A | 0.0000 | |
| 23 | K | A | 0.0000 | |
| 24 | D | A | 0.0000 | |
| 25 | M | A | -0.0247 | |
| 26 | I | A | 0.0000 | |
| 27 | K | A | -0.3080 | |
| 28 | V | A | 0.0000 | |
| 29 | L | A | 0.0000 | |
| 30 | H | A | 0.0000 | |
| 31 | I | A | 0.0000 | |
| 32 | Q | A | -2.2572 | |
| 33 | R | A | -2.6495 | |
| 34 | D | A | -2.9818 | |
| 35 | G | A | -2.3659 | |
| 36 | K | A | -2.9292 | |
| 37 | Y | A | -2.0617 | |
| 38 | H | A | 0.0000 | |
| 39 | S | A | -1.0212 | |
| 40 | I | A | -0.7456 | |
| 41 | K | A | -0.5906 | |
| 42 | E | A | 0.0000 | |
| 43 | V | A | 0.0000 | |
| 44 | A | A | -0.1486 | |
| 45 | T | A | 0.0000 | |
| 46 | S | A | 0.0000 | |
| 47 | V | A | 0.0000 | |
| 48 | Q | A | -0.3693 | |
| 49 | L | A | 0.0000 | |
| 50 | T | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | S | A | -0.5565 | |
| 53 | S | A | -0.4898 | |
| 54 | K | A | -0.7550 | |
| 55 | K | A | -1.1358 | |
| 56 | D | A | 0.0000 | |
| 57 | Y | A | 0.0000 | |
| 58 | L | A | -0.6382 | |
| 59 | H | A | -1.3787 | |
| 60 | G | A | -1.1548 | |
| 61 | D | A | -1.5070 | |
| 62 | N | A | 0.0000 | |
| 63 | S | A | -0.8476 | |
| 64 | D | A | -0.6447 | |
| 65 | V | A | 0.0000 | |
| 66 | I | A | 0.0000 | |
| 67 | P | A | 0.0000 | |
| 68 | T | A | -0.2565 | |
| 69 | D | A | -0.3400 | |
| 70 | T | A | 0.0000 | |
| 71 | I | A | 0.0000 | |
| 72 | K | A | -0.5101 | |
| 73 | N | A | -0.4278 | |
| 74 | T | A | 0.0000 | |
| 75 | V | A | 0.0000 | |
| 76 | N | A | 0.0000 | |
| 77 | V | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | A | A | 0.0000 | |
| 80 | K | A | -0.0742 | |
| 81 | F | A | 0.9233 | |
| 82 | K | A | -0.9112 | |
| 83 | G | A | -1.0785 | |
| 84 | I | A | 0.0000 | |
| 85 | K | A | -2.1862 | |
| 86 | S | A | 0.0000 | |
| 87 | I | A | 0.0000 | |
| 88 | E | A | 0.0000 | |
| 89 | T | A | -0.5999 | |
| 90 | F | A | 0.0000 | |
| 91 | A | A | 0.0000 | |
| 92 | V | A | -0.2563 | |
| 93 | T | A | -0.5825 | |
| 94 | I | A | 0.0000 | |
| 95 | C | A | 0.0000 | |
| 96 | E | A | -1.3702 | |
| 97 | H | A | -0.8693 | |
| 98 | F | A | 0.0000 | |
| 99 | L | A | 0.0000 | |
| 100 | S | A | -1.3101 | |
| 101 | S | A | -0.9372 | |
| 102 | F | A | 0.0000 | |
| 103 | K | A | -1.8583 | |
| 104 | H | A | -1.1080 | |
| 105 | V | A | 0.0000 | |
| 106 | I | A | -0.0977 | |
| 107 | R | A | -0.1367 | |
| 108 | A | A | 0.0000 | |
| 109 | Q | A | -0.5082 | |
| 110 | V | A | 0.0000 | |
| 111 | Y | A | -0.3227 | |
| 112 | V | A | 0.0000 | |
| 113 | E | A | -0.5798 | |
| 114 | E | A | -0.4505 | |
| 115 | V | A | -0.1241 | |
| 116 | P | A | -0.3655 | |
| 117 | W | A | 0.0000 | |
| 118 | K | A | -1.9287 | |
| 119 | R | A | -1.7021 | |
| 120 | F | A | 0.0000 | |
| 121 | E | A | -3.2332 | |
| 122 | K | A | -2.8797 | |
| 123 | N | A | -2.2991 | |
| 124 | G | A | -1.5490 | |
| 125 | V | A | -0.7320 | |
| 126 | K | A | -2.2733 | |
| 127 | H | A | 0.0000 | |
| 128 | V | A | 0.0000 | |
| 129 | H | A | 0.0000 | |
| 130 | A | A | 0.0000 | |
| 131 | F | A | 0.0000 | |
| 132 | I | A | -0.5904 | |
| 133 | Y | A | -0.2478 | |
| 134 | T | A | -0.2597 | |
| 135 | P | A | -0.2461 | |
| 136 | T | A | -0.3276 | |
| 137 | G | A | 0.0000 | |
| 138 | T | A | 0.0000 | |
| 139 | H | A | -0.8686 | |
| 140 | F | A | 0.0000 | |
| 141 | C | A | 0.0000 | |
| 142 | E | A | -0.8719 | |
| 143 | V | A | 0.0000 | |
| 144 | E | A | -0.6124 | |
| 145 | Q | A | 0.0000 | |
| 146 | I | A | 0.1317 | |
| 147 | R | A | -1.0277 | |
| 148 | N | A | -1.3429 | |
| 149 | G | A | -0.6704 | |
| 150 | P | A | -0.7567 | |
| 151 | P | A | -0.4614 | |
| 152 | V | A | -0.0729 | |
| 153 | I | A | -0.2104 | |
| 154 | H | A | -0.5832 | |
| 155 | S | A | 0.0000 | |
| 156 | G | A | 0.0000 | |
| 157 | I | A | 0.0000 | |
| 158 | K | A | -0.5915 | |
| 159 | D | A | -0.8143 | |
| 160 | L | A | 0.0000 | |
| 161 | K | A | -0.5531 | |
| 162 | V | A | 0.0000 | |
| 163 | L | A | 0.0000 | |
| 164 | K | A | 0.0000 | |
| 165 | T | A | 0.0000 | |
| 166 | T | A | -1.2557 | |
| 167 | Q | A | -1.4445 | |
| 168 | S | A | 0.0000 | |
| 169 | G | A | 0.0000 | |
| 170 | F | A | -1.2543 | |
| 171 | E | A | -1.7175 | |
| 172 | G | A | -1.2022 | |
| 173 | F | A | 0.0000 | |
| 174 | I | A | -0.8312 | |
| 175 | K | A | -2.0028 | |
| 176 | D | A | -1.6785 | |
| 177 | Q | A | -1.9593 | |
| 178 | F | A | 0.0000 | |
| 179 | T | A | -1.2423 | |
| 180 | T | A | -0.9856 | |
| 181 | L | A | -0.3851 | |
| 182 | P | A | -0.8288 | |
| 183 | E | A | -1.8475 | |
| 184 | V | A | -1.7132 | |
| 185 | K | A | -2.6349 | |
| 186 | D | A | -2.7144 | |
| 187 | R | A | -1.5707 | |
| 188 | C | A | -0.5722 | |
| 189 | F | A | 0.0000 | |
| 190 | A | A | 0.0000 | |
| 191 | T | A | 0.0000 | |
| 192 | Q | A | -0.6922 | |
| 193 | V | A | 0.0000 | |
| 194 | Y | A | -0.0849 | |
| 195 | C | A | 0.0000 | |
| 196 | K | A | -0.7699 | |
| 197 | W | A | 0.0000 | |
| 198 | R | A | -0.9484 | |
| 199 | Y | A | 0.0000 | |
| 200 | H | A | -1.6193 | |
| 201 | Q | A | -1.7709 | |
| 202 | G | A | -2.1318 | |
| 203 | R | A | -3.3894 | |
| 204 | D | A | -3.2278 | |
| 205 | V | A | -2.4381 | |
| 206 | D | A | -2.8193 | |
| 207 | F | A | 0.0000 | |
| 208 | E | A | -2.9606 | |
| 209 | A | A | -1.9950 | |
| 210 | T | A | 0.0000 | |
| 211 | W | A | -1.7670 | |
| 212 | D | A | -2.3792 | |
| 213 | T | A | -1.4337 | |
| 214 | V | A | 0.0000 | |
| 215 | R | A | -1.1714 | |
| 216 | S | A | -1.1165 | |
| 217 | I | A | 0.0000 | |
| 218 | V | A | 0.0000 | |
| 219 | L | A | -0.6079 | |
| 220 | Q | A | -1.5833 | |
| 221 | K | A | -1.1665 | |
| 222 | F | A | 0.0000 | |
| 223 | A | A | 0.0000 | |
| 224 | G | A | -1.6932 | |
| 225 | P | A | -1.7496 | |
| 226 | Y | A | -2.0959 | |
| 227 | D | A | -2.8453 | |
| 228 | K | A | -3.1656 | |
| 229 | G | A | 0.0000 | |
| 230 | E | A | -2.2813 | |
| 231 | Y | A | -0.8132 | |
| 232 | S | A | -0.6060 | |
| 233 | P | A | -0.9487 | |
| 234 | S | A | 0.0000 | |
| 235 | V | A | 0.0000 | |
| 236 | Q | A | 0.0000 | |
| 237 | K | A | -0.8579 | |
| 238 | T | A | 0.0000 | |
| 239 | L | A | 0.0000 | |
| 240 | Y | A | 0.0000 | |
| 241 | D | A | -0.6637 | |
| 242 | I | A | 0.0000 | |
| 243 | Q | A | 0.0000 | |
| 244 | V | A | 0.0000 | |
| 245 | L | A | -0.4863 | |
| 246 | T | A | 0.0000 | |
| 247 | L | A | 0.0000 | |
| 248 | G | A | -1.4964 | |
| 249 | Q | A | -1.3150 | |
| 250 | V | A | 0.0000 | |
| 251 | P | A | -0.9107 | |
| 252 | E | A | -1.7868 | |
| 253 | I | A | 0.0000 | |
| 254 | E | A | -1.1058 | |
| 255 | D | A | -1.1382 | |
| 256 | M | A | 0.0000 | |
| 257 | E | A | -1.2089 | |
| 258 | I | A | 0.0000 | |
| 259 | S | A | -0.3044 | |
| 260 | L | A | 0.0000 | |
| 261 | P | A | -0.2445 | |
| 262 | N | A | -0.1579 | |
| 263 | I | A | -0.0894 | |
| 264 | H | A | 0.0387 | |
| 265 | Y | A | 0.0000 | |
| 266 | L | A | 0.2771 | |
| 267 | N | A | -1.4334 | |
| 268 | I | A | -0.9736 | |
| 269 | D | A | -2.0711 | |
| 270 | M | A | 0.0000 | |
| 271 | S | A | -1.0332 | |
| 272 | K | A | -2.0783 | |
| 273 | M | A | -1.2027 | |
| 274 | G | A | -0.8026 | |
| 275 | L | A | 0.1649 | |
| 276 | I | A | 0.8157 | |
| 277 | N | A | 0.0000 | |
| 278 | K | A | -2.2362 | |
| 279 | E | A | -2.6737 | |
| 280 | E | A | -1.7832 | |
| 281 | V | A | 0.0000 | |
| 282 | L | A | 0.0000 | |
| 283 | L | A | -0.0061 | |
| 284 | P | A | 0.0000 | |
| 285 | L | A | -0.2617 | |
| 286 | D | A | -1.2918 | |
| 287 | N | A | -0.7766 | |
| 288 | P | A | -0.3835 | |
| 289 | Y | A | -0.1381 | |
| 290 | G | A | 0.0000 | |
| 291 | R | A | -0.3640 | |
| 292 | I | A | 0.0000 | |
| 293 | T | A | -0.5606 | |
| 294 | G | A | 0.0000 | |
| 295 | T | A | -0.8039 | |
| 296 | V | A | 0.0000 | |
| 297 | K | A | -1.2449 | |
| 298 | R | A | -1.3983 | |
| 299 | K | A | -1.3556 | |
| 300 | L | A | 0.3291 | |
| 301 | T | A | -0.1240 | |
| 302 | S | A | -0.3571 | |
| 303 | R | A | -0.9654 | |
| 304 | L | A | 0.5475 | |
| 1 | M | B | 0.6080 | |
| 2 | A | B | -0.4430 | |
| 3 | H | B | -0.9203 | |
| 4 | Y | B | -0.1099 | |
| 5 | R | B | -2.0500 | |
| 6 | N | B | -2.5041 | |
| 7 | D | B | -1.8338 | |
| 8 | Y | B | -1.3269 | |
| 9 | K | B | -3.0967 | |
| 10 | K | B | -2.8491 | |
| 11 | N | B | -2.4784 | |
| 12 | D | B | -3.2814 | |
| 13 | E | B | -2.7569 | |
| 14 | V | B | 0.0000 | |
| 15 | E | B | -1.6221 | |
| 16 | F | B | -0.2405 | |
| 17 | V | B | 0.3719 | |
| 18 | R | B | -1.2564 | |
| 19 | T | B | 0.0000 | |
| 20 | G | B | 0.0000 | |
| 21 | Y | B | 0.0000 | |
| 22 | G | B | 0.0000 | |
| 23 | K | B | 0.0000 | |
| 24 | D | B | 0.0000 | |
| 25 | M | B | -0.0416 | |
| 26 | I | B | 0.0000 | |
| 27 | K | B | -0.3386 | |
| 28 | V | B | 0.0000 | |
| 29 | L | B | 0.0000 | |
| 30 | H | B | -0.9072 | |
| 31 | I | B | 0.0000 | |
| 32 | Q | B | -2.1967 | |
| 33 | R | B | -2.5905 | |
| 34 | D | B | -2.8894 | |
| 35 | G | B | -2.2802 | |
| 36 | K | B | -2.8737 | |
| 37 | Y | B | -1.8620 | |
| 38 | H | B | 0.0000 | |
| 39 | S | B | -0.9683 | |
| 40 | I | B | -0.7736 | |
| 41 | K | B | -0.5598 | |
| 42 | E | B | 0.0000 | |
| 43 | V | B | 0.0000 | |
| 44 | A | B | -0.1457 | |
| 45 | T | B | 0.0000 | |
| 46 | S | B | -0.1623 | |
| 47 | V | B | 0.0000 | |
| 48 | Q | B | -0.4286 | |
| 49 | L | B | 0.0000 | |
| 50 | T | B | 0.0000 | |
| 51 | L | B | 0.0000 | |
| 52 | S | B | -0.5280 | |
| 53 | S | B | -0.4535 | |
| 54 | K | B | -0.7134 | |
| 55 | K | B | -1.0983 | |
| 56 | D | B | 0.0000 | |
| 57 | Y | B | 0.0000 | |
| 58 | L | B | -0.6165 | |
| 59 | H | B | -1.3669 | |
| 60 | G | B | -1.1835 | |
| 61 | D | B | -1.5398 | |
| 62 | N | B | 0.0000 | |
| 63 | S | B | -0.8764 | |
| 64 | D | B | -0.5745 | |
| 65 | V | B | 0.0000 | |
| 66 | I | B | 0.0000 | |
| 67 | P | B | 0.0000 | |
| 68 | T | B | -0.2954 | |
| 69 | D | B | -0.4022 | |
| 70 | T | B | 0.0000 | |
| 71 | I | B | 0.0000 | |
| 72 | K | B | -0.5090 | |
| 73 | N | B | 0.0000 | |
| 74 | T | B | 0.0000 | |
| 75 | V | B | 0.0000 | |
| 76 | N | B | 0.0000 | |
| 77 | V | B | 0.0000 | |
| 78 | L | B | 0.0000 | |
| 79 | A | B | 0.0000 | |
| 80 | K | B | -0.3959 | |
| 81 | F | B | 0.2117 | |
| 82 | K | B | -1.4896 | |
| 83 | G | B | -1.3702 | |
| 84 | I | B | 0.0000 | |
| 85 | K | B | -2.1768 | |
| 86 | S | B | 0.0000 | |
| 87 | I | B | 0.0000 | |
| 88 | E | B | 0.0000 | |
| 89 | T | B | -0.6329 | |
| 90 | F | B | 0.0000 | |
| 91 | A | B | 0.0000 | |
| 92 | V | B | -0.2593 | |
| 93 | T | B | -0.5981 | |
| 94 | I | B | 0.0000 | |
| 95 | C | B | 0.0000 | |
| 96 | E | B | -1.2710 | |
| 97 | H | B | -0.8203 | |
| 98 | F | B | 0.0000 | |
| 99 | L | B | 0.0000 | |
| 100 | S | B | -1.2861 | |
| 101 | S | B | -0.9196 | |
| 102 | F | B | 0.0000 | |
| 103 | K | B | -1.8155 | |
| 104 | H | B | 0.0000 | |
| 105 | V | B | 0.0000 | |
| 106 | I | B | -0.1616 | |
| 107 | R | B | -0.2155 | |
| 108 | A | B | 0.0000 | |
| 109 | Q | B | -0.5864 | |
| 110 | V | B | 0.0000 | |
| 111 | Y | B | -0.3413 | |
| 112 | V | B | 0.0000 | |
| 113 | E | B | -0.5397 | |
| 114 | E | B | -0.3297 | |
| 115 | V | B | -0.0871 | |
| 116 | P | B | -0.3570 | |
| 117 | W | B | 0.0000 | |
| 118 | K | B | -2.0286 | |
| 119 | R | B | -1.7998 | |
| 120 | F | B | 0.0000 | |
| 121 | E | B | -3.2474 | |
| 122 | K | B | -2.7762 | |
| 123 | N | B | -2.2536 | |
| 124 | G | B | -1.5409 | |
| 125 | V | B | -0.8222 | |
| 126 | K | B | -2.4529 | |
| 127 | H | B | 0.0000 | |
| 128 | V | B | 0.0000 | |
| 129 | H | B | 0.0000 | |
| 130 | A | B | 0.0000 | |
| 131 | F | B | 0.0000 | |
| 132 | I | B | -0.6625 | |
| 133 | Y | B | -0.3467 | |
| 134 | T | B | -0.3253 | |
| 135 | P | B | -0.3211 | |
| 136 | T | B | -0.4039 | |
| 137 | G | B | 0.0000 | |
| 138 | T | B | 0.0000 | |
| 139 | H | B | 0.0000 | |
| 140 | F | B | 0.0000 | |
| 141 | C | B | 0.0000 | |
| 142 | E | B | -0.9740 | |
| 143 | V | B | 0.0000 | |
| 144 | E | B | -0.7362 | |
| 145 | Q | B | 0.0000 | |
| 146 | I | B | 0.1640 | |
| 147 | R | B | -1.0751 | |
| 148 | N | B | -1.3564 | |
| 149 | G | B | -0.6504 | |
| 150 | P | B | -0.7923 | |
| 151 | P | B | -0.5442 | |
| 152 | V | B | -0.3162 | |
| 153 | I | B | -0.4284 | |
| 154 | H | B | -0.8155 | |
| 155 | S | B | 0.0000 | |
| 156 | G | B | 0.0000 | |
| 157 | I | B | 0.0000 | |
| 158 | K | B | -0.8509 | |
| 159 | D | B | -1.0171 | |
| 160 | L | B | 0.0000 | |
| 161 | K | B | -0.7262 | |
| 162 | V | B | 0.0000 | |
| 163 | L | B | 0.0000 | |
| 164 | K | B | 0.0000 | |
| 165 | T | B | 0.0000 | |
| 166 | T | B | -1.3543 | |
| 167 | Q | B | -1.6006 | |
| 168 | S | B | 0.0000 | |
| 169 | G | B | 0.0000 | |
| 170 | F | B | -1.2512 | |
| 171 | E | B | -1.5782 | |
| 172 | G | B | -1.1747 | |
| 173 | F | B | 0.0000 | |
| 174 | I | B | -0.7926 | |
| 175 | K | B | -2.0009 | |
| 176 | D | B | -1.6654 | |
| 177 | Q | B | -1.9683 | |
| 178 | F | B | 0.0000 | |
| 179 | T | B | -1.2384 | |
| 180 | T | B | -1.0446 | |
| 181 | L | B | -0.4642 | |
| 182 | P | B | -1.0496 | |
| 183 | E | B | -2.3193 | |
| 184 | V | B | -1.9467 | |
| 185 | K | B | -2.7947 | |
| 186 | D | B | -3.0064 | |
| 187 | R | B | -1.6708 | |
| 188 | C | B | -0.5635 | |
| 189 | F | B | 0.0000 | |
| 190 | A | B | 0.0000 | |
| 191 | T | B | 0.0000 | |
| 192 | Q | B | -0.8047 | |
| 193 | V | B | 0.0000 | |
| 194 | Y | B | -0.3101 | |
| 195 | C | B | 0.0000 | |
| 196 | K | B | -0.8642 | |
| 197 | W | B | 0.0000 | |
| 198 | R | B | -1.3916 | |
| 199 | Y | B | 0.0000 | |
| 200 | H | B | -1.7956 | |
| 201 | Q | B | -2.0234 | |
| 202 | G | B | -2.2214 | |
| 203 | R | B | -3.4181 | |
| 204 | D | B | -3.2372 | |
| 205 | V | B | -2.3527 | |
| 206 | D | B | -2.6600 | |
| 207 | F | B | 0.0000 | |
| 208 | E | B | -2.4540 | |
| 209 | A | B | -1.7576 | |
| 210 | T | B | 0.0000 | |
| 211 | W | B | -1.5704 | |
| 212 | D | B | -2.2407 | |
| 213 | T | B | -1.3694 | |
| 214 | V | B | 0.0000 | |
| 215 | R | B | -1.1550 | |
| 216 | S | B | -1.1223 | |
| 217 | I | B | 0.0000 | |
| 218 | V | B | 0.0000 | |
| 219 | L | B | -0.5986 | |
| 220 | Q | B | -1.5686 | |
| 221 | K | B | -1.1685 | |
| 222 | F | B | 0.0000 | |
| 223 | A | B | 0.0000 | |
| 224 | G | B | -1.7362 | |
| 225 | P | B | -1.7740 | |
| 226 | Y | B | -2.0774 | |
| 227 | D | B | -2.9333 | |
| 228 | K | B | -3.2535 | |
| 229 | G | B | 0.0000 | |
| 230 | E | B | -2.4101 | |
| 231 | Y | B | -1.0904 | |
| 232 | S | B | -0.7475 | |
| 233 | P | B | -0.9560 | |
| 234 | S | B | 0.0000 | |
| 235 | V | B | 0.0000 | |
| 236 | Q | B | 0.0000 | |
| 237 | K | B | -0.8535 | |
| 238 | T | B | 0.0000 | |
| 239 | L | B | 0.0000 | |
| 240 | Y | B | 0.0000 | |
| 241 | D | B | -0.6677 | |
| 242 | I | B | 0.0000 | |
| 243 | Q | B | 0.0000 | |
| 244 | V | B | 0.0000 | |
| 245 | L | B | -0.7155 | |
| 246 | T | B | 0.0000 | |
| 247 | L | B | 0.0000 | |
| 248 | G | B | -1.5511 | |
| 249 | Q | B | -1.3754 | |
| 250 | V | B | 0.0000 | |
| 251 | P | B | -0.8779 | |
| 252 | E | B | -1.7867 | |
| 253 | I | B | 0.0000 | |
| 254 | E | B | -1.3228 | |
| 255 | D | B | -1.3165 | |
| 256 | M | B | 0.0000 | |
| 257 | E | B | -0.9944 | |
| 258 | I | B | 0.0000 | |
| 259 | S | B | -0.3261 | |
| 260 | L | B | 0.0000 | |
| 261 | P | B | -0.1980 | |
| 262 | N | B | 0.0000 | |
| 263 | I | B | 0.1366 | |
| 264 | H | B | 0.2498 | |
| 265 | Y | B | 0.3919 | |
| 266 | L | B | 0.4715 | |
| 267 | N | B | -1.3017 | |
| 268 | I | B | -0.8680 | |
| 269 | D | B | -2.0313 | |
| 270 | M | B | 0.0000 | |
| 271 | S | B | -0.9957 | |
| 272 | K | B | -2.0528 | |
| 273 | M | B | -1.1585 | |
| 274 | G | B | -0.7469 | |
| 275 | L | B | 0.2650 | |
| 276 | I | B | 0.8366 | |
| 277 | N | B | 0.0000 | |
| 278 | K | B | -2.3106 | |
| 279 | E | B | -2.8296 | |
| 280 | E | B | -1.7681 | |
| 281 | V | B | 0.0000 | |
| 282 | L | B | 0.0000 | |
| 283 | L | B | 0.2933 | |
| 284 | P | B | 0.0000 | |
| 285 | L | B | -0.2032 | |
| 286 | D | B | -1.3111 | |
| 287 | N | B | -0.7892 | |
| 288 | P | B | 0.0000 | |
| 289 | Y | B | -0.0551 | |
| 290 | G | B | 0.0000 | |
| 291 | R | B | -0.3542 | |
| 292 | I | B | 0.0000 | |
| 293 | T | B | -0.4895 | |
| 294 | G | B | 0.0000 | |
| 295 | T | B | -0.7243 | |
| 296 | V | B | 0.0000 | |
| 297 | K | B | -1.4997 | |
| 298 | R | B | -1.5473 | |
| 299 | K | B | -1.4176 | |
| 300 | L | B | 0.3044 | |
| 301 | T | B | -0.1300 | |
| 302 | S | B | -0.3393 | |
| 303 | R | B | -0.9667 | |
| 304 | L | B | 0.5469 | |
| 1 | M | C | 0.6012 | |
| 2 | A | C | -0.4952 | |
| 3 | H | C | -1.0100 | |
| 4 | Y | C | -0.2337 | |
| 5 | R | C | -2.1344 | |
| 6 | N | C | -2.6085 | |
| 7 | D | C | -2.1217 | |
| 8 | Y | C | -1.4323 | |
| 9 | K | C | -3.1324 | |
| 10 | K | C | -2.9544 | |
| 11 | N | C | -2.5747 | |
| 12 | D | C | -3.3926 | |
| 13 | E | C | -2.9109 | |
| 14 | V | C | 0.0000 | |
| 15 | E | C | -2.0783 | |
| 16 | F | C | -0.6726 | |
| 17 | V | C | -0.1441 | |
| 18 | R | C | -1.4590 | |
| 19 | T | C | 0.0000 | |
| 20 | G | C | 0.0000 | |
| 21 | Y | C | 0.0000 | |
| 22 | G | C | 0.0000 | |
| 23 | K | C | 0.0000 | |
| 24 | D | C | 0.0000 | |
| 25 | M | C | 0.0264 | |
| 26 | I | C | 0.0000 | |
| 27 | K | C | -0.2554 | |
| 28 | V | C | 0.0000 | |
| 29 | L | C | 0.0000 | |
| 30 | H | C | 0.0000 | |
| 31 | I | C | 0.0000 | |
| 32 | Q | C | -2.2921 | |
| 33 | R | C | -2.7066 | |
| 34 | D | C | -3.0217 | |
| 35 | G | C | -2.3963 | |
| 36 | K | C | -3.0699 | |
| 37 | Y | C | -2.2102 | |
| 38 | H | C | 0.0000 | |
| 39 | S | C | -1.0775 | |
| 40 | I | C | -0.8658 | |
| 41 | K | C | -0.7505 | |
| 42 | E | C | 0.0000 | |
| 43 | V | C | 0.0000 | |
| 44 | A | C | -0.1219 | |
| 45 | T | C | 0.0000 | |
| 46 | S | C | -0.1955 | |
| 47 | V | C | 0.0000 | |
| 48 | Q | C | -0.5802 | |
| 49 | L | C | 0.0000 | |
| 50 | T | C | 0.0000 | |
| 51 | L | C | 0.0000 | |
| 52 | S | C | -0.5434 | |
| 53 | S | C | -0.4504 | |
| 54 | K | C | -0.7159 | |
| 55 | K | C | -1.0939 | |
| 56 | D | C | 0.0000 | |
| 57 | Y | C | 0.0000 | |
| 58 | L | C | -0.5610 | |
| 59 | H | C | -1.3314 | |
| 60 | G | C | -1.1179 | |
| 61 | D | C | -1.4776 | |
| 62 | N | C | 0.0000 | |
| 63 | S | C | -0.8275 | |
| 64 | D | C | -0.5728 | |
| 65 | V | C | 0.0000 | |
| 66 | I | C | 0.0000 | |
| 67 | P | C | 0.0000 | |
| 68 | T | C | -0.2432 | |
| 69 | D | C | -0.2927 | |
| 70 | T | C | 0.0000 | |
| 71 | I | C | 0.0000 | |
| 72 | K | C | -0.4500 | |
| 73 | N | C | 0.0000 | |
| 74 | T | C | 0.0000 | |
| 75 | V | C | 0.0000 | |
| 76 | N | C | 0.0000 | |
| 77 | V | C | 0.0000 | |
| 78 | L | C | 0.0000 | |
| 79 | A | C | 0.0000 | |
| 80 | K | C | -0.0433 | |
| 81 | F | C | 1.0086 | |
| 82 | K | C | -0.9333 | |
| 83 | G | C | -1.0835 | |
| 84 | I | C | 0.0000 | |
| 85 | K | C | -2.2288 | |
| 86 | S | C | -1.6234 | |
| 87 | I | C | 0.0000 | |
| 88 | E | C | 0.0000 | |
| 89 | T | C | -0.4294 | |
| 90 | F | C | 0.0000 | |
| 91 | A | C | 0.0000 | |
| 92 | V | C | -0.3253 | |
| 93 | T | C | -0.5541 | |
| 94 | I | C | 0.0000 | |
| 95 | C | C | 0.0000 | |
| 96 | E | C | -1.2643 | |
| 97 | H | C | -0.8255 | |
| 98 | F | C | 0.0000 | |
| 99 | L | C | 0.0000 | |
| 100 | S | C | -1.2855 | |
| 101 | S | C | -0.9260 | |
| 102 | F | C | 0.0000 | |
| 103 | K | C | -1.8118 | |
| 104 | H | C | 0.0000 | |
| 105 | V | C | 0.0000 | |
| 106 | I | C | -0.2131 | |
| 107 | R | C | -0.4438 | |
| 108 | A | C | 0.0000 | |
| 109 | Q | C | -1.0013 | |
| 110 | V | C | 0.0000 | |
| 111 | Y | C | -0.4712 | |
| 112 | V | C | 0.0000 | |
| 113 | E | C | -0.5994 | |
| 114 | E | C | -0.4748 | |
| 115 | V | C | -0.1961 | |
| 116 | P | C | -0.4396 | |
| 117 | W | C | 0.0000 | |
| 118 | K | C | -2.0433 | |
| 119 | R | C | -1.7796 | |
| 120 | F | C | 0.0000 | |
| 121 | E | C | -3.2547 | |
| 122 | K | C | -2.9047 | |
| 123 | N | C | -2.3094 | |
| 124 | G | C | -1.5508 | |
| 125 | V | C | -0.8075 | |
| 126 | K | C | -2.3620 | |
| 127 | H | C | 0.0000 | |
| 128 | V | C | 0.0000 | |
| 129 | H | C | 0.0000 | |
| 130 | A | C | 0.0000 | |
| 131 | F | C | 0.0000 | |
| 132 | I | C | -0.6774 | |
| 133 | Y | C | -0.3724 | |
| 134 | T | C | -0.3408 | |
| 135 | P | C | -0.3355 | |
| 136 | T | C | -0.4149 | |
| 137 | G | C | 0.0000 | |
| 138 | T | C | 0.0000 | |
| 139 | H | C | -0.9158 | |
| 140 | F | C | 0.0000 | |
| 141 | C | C | 0.0000 | |
| 142 | E | C | -1.1975 | |
| 143 | V | C | 0.0000 | |
| 144 | E | C | -1.0941 | |
| 145 | Q | C | 0.0000 | |
| 146 | I | C | 0.0451 | |
| 147 | R | C | -1.0824 | |
| 148 | N | C | -1.3587 | |
| 149 | G | C | -0.6653 | |
| 150 | P | C | -0.7761 | |
| 151 | P | C | -0.5666 | |
| 152 | V | C | -0.2498 | |
| 153 | I | C | -0.3700 | |
| 154 | H | C | -0.7441 | |
| 155 | S | C | 0.0000 | |
| 156 | G | C | 0.0000 | |
| 157 | I | C | 0.0000 | |
| 158 | K | C | -0.8363 | |
| 159 | D | C | -1.0130 | |
| 160 | L | C | 0.0000 | |
| 161 | K | C | -0.6969 | |
| 162 | V | C | 0.0000 | |
| 163 | L | C | 0.0000 | |
| 164 | K | C | 0.0000 | |
| 165 | T | C | 0.0000 | |
| 166 | T | C | -1.2784 | |
| 167 | Q | C | -1.5341 | |
| 168 | S | C | 0.0000 | |
| 169 | G | C | 0.0000 | |
| 170 | F | C | -1.0585 | |
| 171 | E | C | -1.3301 | |
| 172 | G | C | -1.0720 | |
| 173 | F | C | 0.0000 | |
| 174 | I | C | -0.7890 | |
| 175 | K | C | -2.0043 | |
| 176 | D | C | -1.6756 | |
| 177 | Q | C | -1.9597 | |
| 178 | F | C | 0.0000 | |
| 179 | T | C | -1.2569 | |
| 180 | T | C | -0.9922 | |
| 181 | L | C | -0.3571 | |
| 182 | P | C | -0.7502 | |
| 183 | E | C | -1.6922 | |
| 184 | V | C | -1.5954 | |
| 185 | K | C | -2.5516 | |
| 186 | D | C | -2.6412 | |
| 187 | R | C | -1.5060 | |
| 188 | C | C | -0.4957 | |
| 189 | F | C | 0.0000 | |
| 190 | A | C | 0.0000 | |
| 191 | T | C | 0.0000 | |
| 192 | Q | C | -0.8078 | |
| 193 | V | C | 0.0000 | |
| 194 | Y | C | -0.2720 | |
| 195 | C | C | 0.0000 | |
| 196 | K | C | -0.8162 | |
| 197 | W | C | 0.0000 | |
| 198 | R | C | -1.0296 | |
| 199 | Y | C | 0.0000 | |
| 200 | H | C | -1.6905 | |
| 201 | Q | C | -1.9202 | |
| 202 | G | C | -2.1945 | |
| 203 | R | C | -3.4123 | |
| 204 | D | C | -3.2330 | |
| 205 | V | C | -2.4132 | |
| 206 | D | C | -2.7999 | |
| 207 | F | C | 0.0000 | |
| 208 | E | C | -2.9328 | |
| 209 | A | C | -1.9838 | |
| 210 | T | C | 0.0000 | |
| 211 | W | C | -1.7668 | |
| 212 | D | C | -2.3749 | |
| 213 | T | C | -1.4279 | |
| 214 | V | C | 0.0000 | |
| 215 | R | C | -1.1932 | |
| 216 | S | C | -1.1036 | |
| 217 | I | C | 0.0000 | |
| 218 | V | C | 0.0000 | |
| 219 | L | C | -0.6322 | |
| 220 | Q | C | -1.5901 | |
| 221 | K | C | -1.2069 | |
| 222 | F | C | 0.0000 | |
| 223 | A | C | 0.0000 | |
| 224 | G | C | -1.7229 | |
| 225 | P | C | -1.7445 | |
| 226 | Y | C | -2.0233 | |
| 227 | D | C | -2.7458 | |
| 228 | K | C | -3.1243 | |
| 229 | G | C | 0.0000 | |
| 230 | E | C | -2.3756 | |
| 231 | Y | C | -1.0093 | |
| 232 | S | C | -0.6990 | |
| 233 | P | C | -0.9228 | |
| 234 | S | C | 0.0000 | |
| 235 | V | C | 0.0000 | |
| 236 | Q | C | 0.0000 | |
| 237 | K | C | -0.8727 | |
| 238 | T | C | 0.0000 | |
| 239 | L | C | 0.0000 | |
| 240 | Y | C | 0.0000 | |
| 241 | D | C | -0.7391 | |
| 242 | I | C | 0.0000 | |
| 243 | Q | C | 0.0000 | |
| 244 | V | C | 0.0000 | |
| 245 | L | C | -0.5724 | |
| 246 | T | C | 0.0000 | |
| 247 | L | C | 0.0000 | |
| 248 | G | C | -1.4108 | |
| 249 | Q | C | -1.3660 | |
| 250 | V | C | 0.0000 | |
| 251 | P | C | -0.8886 | |
| 252 | E | C | -1.7322 | |
| 253 | I | C | 0.0000 | |
| 254 | E | C | -1.2134 | |
| 255 | D | C | -1.1442 | |
| 256 | M | C | 0.0000 | |
| 257 | E | C | -0.9517 | |
| 258 | I | C | 0.0000 | |
| 259 | S | C | -0.3304 | |
| 260 | L | C | 0.0000 | |
| 261 | P | C | -0.2673 | |
| 262 | N | C | -0.1081 | |
| 263 | I | C | 0.0440 | |
| 264 | H | C | 0.1980 | |
| 265 | Y | C | 0.3957 | |
| 266 | L | C | 0.4605 | |
| 267 | N | C | -1.3136 | |
| 268 | I | C | -0.8791 | |
| 269 | D | C | -2.0267 | |
| 270 | M | C | 0.0000 | |
| 271 | S | C | -1.0111 | |
| 272 | K | C | -2.0687 | |
| 273 | M | C | -1.1843 | |
| 274 | G | C | -0.7840 | |
| 275 | L | C | 0.1872 | |
| 276 | I | C | 0.8441 | |
| 277 | N | C | 0.0000 | |
| 278 | K | C | -2.1746 | |
| 279 | E | C | -2.5051 | |
| 280 | E | C | -1.7773 | |
| 281 | V | C | 0.0000 | |
| 282 | L | C | 0.0000 | |
| 283 | L | C | 0.1928 | |
| 284 | P | C | 0.0000 | |
| 285 | L | C | -0.1594 | |
| 286 | D | C | -1.2369 | |
| 287 | N | C | -0.6567 | |
| 288 | P | C | 0.0000 | |
| 289 | Y | C | -0.0927 | |
| 290 | G | C | 0.0000 | |
| 291 | R | C | -0.3946 | |
| 292 | I | C | 0.0000 | |
| 293 | T | C | -0.4597 | |
| 294 | G | C | 0.0000 | |
| 295 | T | C | -0.5436 | |
| 296 | V | C | 0.0000 | |
| 297 | K | C | -1.2693 | |
| 298 | R | C | -1.4823 | |
| 299 | K | C | -1.4725 | |
| 300 | L | C | 0.2655 | |
| 301 | T | C | -0.1676 | |
| 302 | S | C | -0.3791 | |
| 303 | R | C | -0.9683 | |
| 304 | L | C | 0.5494 | |
| 1 | M | D | 0.6856 | |
| 2 | A | D | -0.3000 | |
| 3 | H | D | -0.7250 | |
| 4 | Y | D | 0.0855 | |
| 5 | R | D | -1.7138 | |
| 6 | N | D | -1.8013 | |
| 7 | D | D | -1.4206 | |
| 8 | Y | D | -1.0195 | |
| 9 | K | D | -2.7560 | |
| 10 | K | D | -2.5459 | |
| 11 | N | D | -2.2988 | |
| 12 | D | D | -3.2266 | |
| 13 | E | D | -2.7880 | |
| 14 | V | D | 0.0000 | |
| 15 | E | D | -1.5009 | |
| 16 | F | D | -0.1128 | |
| 17 | V | D | 0.5979 | |
| 18 | R | D | -0.7698 | |
| 19 | T | D | 0.0000 | |
| 20 | G | D | 0.0000 | |
| 21 | Y | D | 0.0000 | |
| 22 | G | D | 0.0000 | |
| 23 | K | D | 0.0000 | |
| 24 | D | D | 0.0000 | |
| 25 | M | D | 0.1574 | |
| 26 | I | D | 0.0000 | |
| 27 | K | D | -0.2337 | |
| 28 | V | D | 0.0000 | |
| 29 | L | D | 0.0000 | |
| 30 | H | D | -0.9328 | |
| 31 | I | D | 0.0000 | |
| 32 | Q | D | -2.2759 | |
| 33 | R | D | -2.6981 | |
| 34 | D | D | -3.0079 | |
| 35 | G | D | -2.3815 | |
| 36 | K | D | -3.0293 | |
| 37 | Y | D | -2.1701 | |
| 38 | H | D | 0.0000 | |
| 39 | S | D | -1.0675 | |
| 40 | I | D | -0.7452 | |
| 41 | K | D | -0.5490 | |
| 42 | E | D | 0.0000 | |
| 43 | V | D | 0.0000 | |
| 44 | A | D | -0.0347 | |
| 45 | T | D | 0.0000 | |
| 46 | S | D | -0.0644 | |
| 47 | V | D | 0.0000 | |
| 48 | Q | D | -0.3513 | |
| 49 | L | D | 0.0000 | |
| 50 | T | D | 0.0000 | |
| 51 | L | D | 0.0000 | |
| 52 | S | D | -0.4570 | |
| 53 | S | D | -0.4325 | |
| 54 | K | D | -0.7263 | |
| 55 | K | D | -1.1119 | |
| 56 | D | D | 0.0000 | |
| 57 | Y | D | 0.0000 | |
| 58 | L | D | -0.6270 | |
| 59 | H | D | -1.3773 | |
| 60 | G | D | -1.1521 | |
| 61 | D | D | -1.5114 | |
| 62 | N | D | 0.0000 | |
| 63 | S | D | -0.8368 | |
| 64 | D | D | -0.5752 | |
| 65 | V | D | 0.0000 | |
| 66 | I | D | 0.0000 | |
| 67 | P | D | 0.0000 | |
| 68 | T | D | -0.3701 | |
| 69 | D | D | -0.5519 | |
| 70 | T | D | 0.0000 | |
| 71 | I | D | 0.0000 | |
| 72 | K | D | -0.4841 | |
| 73 | N | D | 0.0000 | |
| 74 | T | D | 0.0000 | |
| 75 | V | D | 0.0000 | |
| 76 | N | D | 0.0000 | |
| 77 | V | D | 0.0000 | |
| 78 | L | D | 0.0000 | |
| 79 | A | D | 0.0000 | |
| 80 | K | D | -0.0607 | |
| 81 | F | D | 0.9066 | |
| 82 | K | D | -0.9073 | |
| 83 | G | D | -1.0939 | |
| 84 | I | D | 0.0000 | |
| 85 | K | D | -2.1193 | |
| 86 | S | D | 0.0000 | |
| 87 | I | D | 0.0000 | |
| 88 | E | D | 0.0000 | |
| 89 | T | D | -0.5963 | |
| 90 | F | D | 0.0000 | |
| 91 | A | D | 0.0000 | |
| 92 | V | D | -0.1915 | |
| 93 | T | D | -0.5244 | |
| 94 | I | D | 0.0000 | |
| 95 | C | D | 0.0000 | |
| 96 | E | D | -1.2390 | |
| 97 | H | D | -0.7947 | |
| 98 | F | D | 0.0000 | |
| 99 | L | D | 0.0000 | |
| 100 | S | D | -1.2696 | |
| 101 | S | D | -0.9131 | |
| 102 | F | D | 0.0000 | |
| 103 | K | D | -1.7773 | |
| 104 | H | D | 0.0000 | |
| 105 | V | D | 0.0000 | |
| 106 | I | D | 0.0377 | |
| 107 | R | D | -0.0348 | |
| 108 | A | D | 0.0000 | |
| 109 | Q | D | -0.4532 | |
| 110 | V | D | 0.0000 | |
| 111 | Y | D | -0.1777 | |
| 112 | V | D | 0.0000 | |
| 113 | E | D | -0.4557 | |
| 114 | E | D | -0.2805 | |
| 115 | V | D | 0.0195 | |
| 116 | P | D | 0.0000 | |
| 117 | W | D | 0.0000 | |
| 118 | K | D | -1.6993 | |
| 119 | R | D | -1.6516 | |
| 120 | F | D | 0.0000 | |
| 121 | E | D | -3.3559 | |
| 122 | K | D | -3.0987 | |
| 123 | N | D | -2.4065 | |
| 124 | G | D | -1.6380 | |
| 125 | V | D | -0.9264 | |
| 126 | K | D | -2.5207 | |
| 127 | H | D | 0.0000 | |
| 128 | V | D | 0.0000 | |
| 129 | H | D | 0.0000 | |
| 130 | A | D | 0.0000 | |
| 131 | F | D | 0.0000 | |
| 132 | I | D | -0.4957 | |
| 133 | Y | D | -0.1419 | |
| 134 | T | D | -0.1733 | |
| 135 | P | D | -0.2311 | |
| 136 | T | D | -0.3329 | |
| 137 | G | D | 0.0000 | |
| 138 | T | D | 0.0000 | |
| 139 | H | D | 0.0000 | |
| 140 | F | D | 0.0000 | |
| 141 | C | D | 0.0000 | |
| 142 | E | D | -0.7661 | |
| 143 | V | D | 0.0000 | |
| 144 | E | D | -0.5070 | |
| 145 | Q | D | 0.0000 | |
| 146 | I | D | 0.1481 | |
| 147 | R | D | -1.0459 | |
| 148 | N | D | -1.3755 | |
| 149 | G | D | -0.6837 | |
| 150 | P | D | -0.7531 | |
| 151 | P | D | -0.4462 | |
| 152 | V | D | -0.0677 | |
| 153 | I | D | -0.1974 | |
| 154 | H | D | -0.6045 | |
| 155 | S | D | 0.0000 | |
| 156 | G | D | 0.0000 | |
| 157 | I | D | 0.0000 | |
| 158 | K | D | -0.8301 | |
| 159 | D | D | -0.9892 | |
| 160 | L | D | 0.0000 | |
| 161 | K | D | -0.6530 | |
| 162 | V | D | 0.0000 | |
| 163 | L | D | 0.0000 | |
| 164 | K | D | 0.0000 | |
| 165 | T | D | 0.0000 | |
| 166 | T | D | -1.3366 | |
| 167 | Q | D | -1.5408 | |
| 168 | S | D | 0.0000 | |
| 169 | G | D | 0.0000 | |
| 170 | F | D | -1.0807 | |
| 171 | E | D | -1.3227 | |
| 172 | G | D | -1.0446 | |
| 173 | F | D | 0.0000 | |
| 174 | I | D | -0.7893 | |
| 175 | K | D | -1.9968 | |
| 176 | D | D | -1.6813 | |
| 177 | Q | D | -1.9599 | |
| 178 | F | D | 0.0000 | |
| 179 | T | D | -1.1924 | |
| 180 | T | D | -0.9062 | |
| 181 | L | D | -0.2208 | |
| 182 | P | D | -0.7045 | |
| 183 | E | D | -1.6763 | |
| 184 | V | D | -1.6460 | |
| 185 | K | D | -2.6517 | |
| 186 | D | D | -2.9242 | |
| 187 | R | D | -1.6824 | |
| 188 | C | D | -0.6013 | |
| 189 | F | D | 0.0000 | |
| 190 | A | D | 0.0000 | |
| 191 | T | D | 0.0000 | |
| 192 | Q | D | -0.7798 | |
| 193 | V | D | 0.0000 | |
| 194 | Y | D | -0.2606 | |
| 195 | C | D | 0.0000 | |
| 196 | K | D | -0.7255 | |
| 197 | W | D | 0.0000 | |
| 198 | R | D | -0.9286 | |
| 199 | Y | D | 0.0000 | |
| 200 | H | D | -1.6489 | |
| 201 | Q | D | -1.7827 | |
| 202 | G | D | -2.1360 | |
| 203 | R | D | -3.3969 | |
| 204 | D | D | -3.2349 | |
| 205 | V | D | -2.3707 | |
| 206 | D | D | -2.6514 | |
| 207 | F | D | 0.0000 | |
| 208 | E | D | -2.3809 | |
| 209 | A | D | -1.7220 | |
| 210 | T | D | 0.0000 | |
| 211 | W | D | -1.5505 | |
| 212 | D | D | -2.2251 | |
| 213 | T | D | -1.3624 | |
| 214 | V | D | 0.0000 | |
| 215 | R | D | -1.1647 | |
| 216 | S | D | -1.1492 | |
| 217 | I | D | 0.0000 | |
| 218 | V | D | 0.0000 | |
| 219 | L | D | -0.6640 | |
| 220 | Q | D | -1.6621 | |
| 221 | K | D | -1.3317 | |
| 222 | F | D | 0.0000 | |
| 223 | A | D | 0.0000 | |
| 224 | G | D | -1.6671 | |
| 225 | P | D | -1.5880 | |
| 226 | Y | D | -1.7669 | |
| 227 | D | D | -2.2865 | |
| 228 | K | D | -2.8985 | |
| 229 | G | D | 0.0000 | |
| 230 | E | D | -2.2667 | |
| 231 | Y | D | -0.8952 | |
| 232 | S | D | -0.6609 | |
| 233 | P | D | -0.8976 | |
| 234 | S | D | 0.0000 | |
| 235 | V | D | 0.0000 | |
| 236 | Q | D | 0.0000 | |
| 237 | K | D | -0.7734 | |
| 238 | T | D | 0.0000 | |
| 239 | L | D | 0.0000 | |
| 240 | Y | D | 0.0000 | |
| 241 | D | D | -0.6638 | |
| 242 | I | D | 0.0000 | |
| 243 | Q | D | 0.0000 | |
| 244 | V | D | 0.0000 | |
| 245 | L | D | -0.7508 | |
| 246 | T | D | 0.0000 | |
| 247 | L | D | 0.0000 | |
| 248 | G | D | -1.5803 | |
| 249 | Q | D | -1.3950 | |
| 250 | V | D | 0.0000 | |
| 251 | P | D | -0.9354 | |
| 252 | E | D | -1.8324 | |
| 253 | I | D | 0.0000 | |
| 254 | E | D | -1.1345 | |
| 255 | D | D | -1.1270 | |
| 256 | M | D | 0.0000 | |
| 257 | E | D | -0.7151 | |
| 258 | I | D | 0.0000 | |
| 259 | S | D | -0.2514 | |
| 260 | L | D | 0.0000 | |
| 261 | P | D | -0.2535 | |
| 262 | N | D | -0.1258 | |
| 263 | I | D | -0.0473 | |
| 264 | H | D | 0.1431 | |
| 265 | Y | D | 0.3311 | |
| 266 | L | D | 0.4784 | |
| 267 | N | D | -1.2920 | |
| 268 | I | D | -0.8881 | |
| 269 | D | D | -2.0194 | |
| 270 | M | D | 0.0000 | |
| 271 | S | D | -0.9545 | |
| 272 | K | D | -2.0392 | |
| 273 | M | D | -1.1824 | |
| 274 | G | D | -0.7675 | |
| 275 | L | D | 0.1945 | |
| 276 | I | D | 0.8028 | |
| 277 | N | D | 0.0000 | |
| 278 | K | D | -2.3468 | |
| 279 | E | D | -2.8742 | |
| 280 | E | D | -1.8416 | |
| 281 | V | D | 0.0000 | |
| 282 | L | D | 0.0000 | |
| 283 | L | D | 0.2113 | |
| 284 | P | D | 0.0000 | |
| 285 | L | D | -0.2333 | |
| 286 | D | D | -1.3379 | |
| 287 | N | D | -0.8029 | |
| 288 | P | D | -0.3469 | |
| 289 | Y | D | -0.0979 | |
| 290 | G | D | 0.0000 | |
| 291 | R | D | -0.3540 | |
| 292 | I | D | 0.0000 | |
| 293 | T | D | 0.0000 | |
| 294 | G | D | 0.0000 | |
| 295 | T | D | 0.0000 | |
| 296 | V | D | 0.0000 | |
| 297 | K | D | -1.3566 | |
| 298 | R | D | -1.5341 | |
| 299 | K | D | -1.4782 | |
| 300 | L | D | 0.2784 | |
| 301 | T | D | -0.1651 | |
| 302 | S | D | -0.3579 | |
| 303 | R | D | -0.9664 | |
| 304 | L | D | 0.5488 |
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 | -0.7129 | 2.3214 | View | CSV | PDB |
| 4.5 | -0.7771 | 2.3183 | View | CSV | PDB |
| 5.0 | -0.8513 | 2.3244 | View | CSV | PDB |
| 5.5 | -0.9219 | 2.358 | View | CSV | PDB |
| 6.0 | -0.9748 | 2.448 | View | CSV | PDB |
| 6.5 | -1.0006 | 2.6109 | View | CSV | PDB |
| 7.0 | -0.9995 | 2.8292 | View | CSV | PDB |
| 7.5 | -0.9795 | 3.0744 | View | CSV | PDB |
| 8.0 | -0.9476 | 3.3295 | View | CSV | PDB |
| 8.5 | -0.905 | 3.5872 | View | CSV | PDB |
| 9.0 | -0.8509 | 3.8432 | 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