| Chain sequence(s) |
A: EIVLTQSPATLSLSPGERATLSCRASKGVSTSGYSYLHWYQQKPGQAPRLLIYLASYLESGVPARFSGSGSGTDFTLTISSLEPEDFAVYYCQHSRDLPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
B: QVQLVQSGVEVKKPGASVKVSCKASGYTFTNYYMYWVRQAPGQGLEWMGGINPSNGGTNFNEKFKNRVTLTTDSSTTTAYMELKSLQFDDTAVYYCARRDYRFDMGFDYWGQGTTVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPPCEFLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS G: QVQLVQSGVEVKKPGASVKVSCKASGYTFTNYYMYWVRQAPGQGLEWMGGINPSNGGTNFNEKFKNRVTLTTDSSTTTAYMELKSLQFDDTAVYYCARRDYRFDMGFDYWGQGTTVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPPCGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS F: EIVLTQSPATLSLSPGERATLSCRASKGVSTSGYSYLHWYQQKPGQAPRLLIYLASYLESGVPARFSGSGSGTDFTLTISSLEPEDFAVYYCQHSRDLPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input PDB |
| Selected Chain(s) | A,B,G,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 (00:12:53)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/fbbd34a6435a9e8/tmp/folded.pdb (00:12:53)
[INFO] Main: Simulation completed successfully. (00:22:42)
|
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 | E | A | -1.6330 | |
| 2 | I | A | 0.0000 | |
| 3 | V | A | 0.6721 | |
| 4 | L | A | 0.0000 | |
| 5 | T | A | -0.4756 | |
| 6 | Q | A | -0.5396 | |
| 7 | S | A | -0.6977 | |
| 8 | P | A | -0.4063 | |
| 9 | A | A | -0.5007 | |
| 10 | T | A | -0.6328 | |
| 11 | L | A | -0.4406 | |
| 12 | S | A | -0.6855 | |
| 13 | L | A | -1.1384 | |
| 14 | S | A | -1.5511 | |
| 15 | P | A | -1.8877 | |
| 16 | G | A | -1.8747 | |
| 17 | E | A | -2.5525 | |
| 18 | R | A | -2.8219 | |
| 19 | A | A | 0.0000 | |
| 20 | T | A | -0.6577 | |
| 21 | L | A | 0.0000 | |
| 22 | S | A | -0.8097 | |
| 23 | C | A | 0.0000 | |
| 24 | R | A | -2.0377 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -1.1355 | |
| 27 | K | A | -2.4555 | |
| 28 | G | A | -1.7915 | |
| 29 | V | A | 0.0000 | |
| 30 | S | A | -0.7082 | |
| 31 | T | A | -0.4148 | |
| 32 | S | A | -0.2687 | |
| 33 | G | A | -0.2627 | |
| 34 | Y | A | 0.1496 | |
| 35 | S | A | 0.0000 | |
| 36 | Y | A | -0.4047 | |
| 37 | L | A | 0.0000 | |
| 38 | H | A | 0.0000 | |
| 39 | W | A | 0.0000 | |
| 40 | Y | A | 0.0000 | |
| 41 | Q | A | 0.0000 | |
| 42 | Q | A | 0.0000 | |
| 43 | K | A | -1.6448 | |
| 44 | P | A | -1.3863 | |
| 45 | G | A | -1.5750 | |
| 46 | Q | A | -1.9948 | |
| 47 | A | A | -1.2265 | |
| 48 | P | A | 0.0000 | |
| 49 | R | A | -1.0269 | |
| 50 | L | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | I | A | 0.0000 | |
| 53 | Y | A | 0.5557 | |
| 54 | L | A | 0.0000 | |
| 55 | A | A | 0.0000 | |
| 56 | S | A | 0.2221 | |
| 57 | Y | A | 0.9625 | |
| 58 | L | A | 0.7810 | |
| 59 | E | A | -0.0163 | |
| 60 | S | A | -0.3354 | |
| 61 | G | A | -0.5353 | |
| 62 | V | A | 0.0000 | |
| 63 | P | A | -0.2536 | |
| 64 | A | A | -0.2088 | |
| 65 | R | A | -0.7795 | |
| 66 | F | A | 0.0000 | |
| 67 | S | A | -0.1479 | |
| 68 | G | A | -0.0918 | |
| 69 | S | A | -0.6400 | |
| 70 | G | A | -1.1395 | |
| 71 | S | A | -0.9842 | |
| 72 | G | A | -1.1669 | |
| 73 | T | A | -1.8375 | |
| 74 | D | A | -2.3412 | |
| 75 | F | A | 0.0000 | |
| 76 | T | A | -0.7857 | |
| 77 | L | A | 0.0000 | |
| 78 | T | A | -0.6814 | |
| 79 | I | A | 0.0000 | |
| 80 | S | A | -1.6973 | |
| 81 | S | A | -1.8735 | |
| 82 | L | A | 0.0000 | |
| 83 | E | A | -2.3024 | |
| 84 | P | A | -2.2508 | |
| 85 | E | A | -2.3982 | |
| 86 | D | A | 0.0000 | |
| 87 | F | A | -1.4747 | |
| 88 | A | A | 0.0000 | |
| 89 | V | A | 0.0000 | |
| 90 | Y | A | 0.0000 | |
| 91 | Y | A | 0.0000 | |
| 92 | C | A | 0.0000 | |
| 93 | Q | A | 0.0000 | |
| 94 | H | A | 0.0000 | |
| 95 | S | A | -0.9980 | |
| 96 | R | A | -2.2021 | |
| 97 | D | A | -1.9519 | |
| 98 | L | A | -0.8723 | |
| 99 | P | A | -1.2766 | |
| 100 | L | A | 0.0000 | |
| 101 | T | A | -0.3406 | |
| 102 | F | A | 0.0000 | |
| 103 | G | A | 0.0000 | |
| 104 | G | A | -0.7212 | |
| 105 | G | A | -0.8690 | |
| 106 | T | A | 0.0000 | |
| 107 | K | A | -1.5999 | |
| 108 | V | A | 0.0000 | |
| 109 | E | A | -1.4515 | |
| 110 | I | A | 0.0000 | |
| 111 | K | A | -1.1905 | |
| 112 | R | A | -0.9938 | |
| 113 | T | A | -0.0930 | |
| 114 | V | A | 0.2412 | |
| 115 | A | A | -0.1336 | |
| 116 | A | A | -0.1779 | |
| 117 | P | A | 0.0000 | |
| 118 | S | A | -0.1998 | |
| 119 | V | A | 0.0000 | |
| 120 | F | A | -0.0474 | |
| 121 | I | A | 0.0000 | |
| 122 | F | A | 0.0000 | |
| 123 | P | A | -0.2542 | |
| 124 | P | A | 0.0000 | |
| 125 | S | A | -1.2967 | |
| 126 | D | A | -2.5451 | |
| 127 | E | A | -2.0725 | |
| 128 | Q | A | 0.0000 | |
| 129 | L | A | -2.0711 | |
| 130 | K | A | -2.5679 | |
| 131 | S | A | -1.6617 | |
| 132 | G | A | -1.3439 | |
| 133 | T | A | -0.9714 | |
| 134 | A | A | 0.0000 | |
| 135 | S | A | 0.0000 | |
| 136 | V | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | C | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | N | A | 0.0000 | |
| 142 | N | A | -0.9510 | |
| 143 | F | A | 0.0000 | |
| 144 | Y | A | 0.0000 | |
| 145 | P | A | -1.7179 | |
| 146 | R | A | -3.1133 | |
| 147 | E | A | -3.2464 | |
| 148 | A | A | -2.2737 | |
| 149 | K | A | -2.2648 | |
| 150 | V | A | -1.1684 | |
| 151 | Q | A | -0.7786 | |
| 152 | W | A | 0.0000 | |
| 153 | K | A | -0.7157 | |
| 154 | V | A | 0.0000 | |
| 155 | D | A | -1.5622 | |
| 156 | N | A | -1.3934 | |
| 157 | A | A | -0.2397 | |
| 158 | L | A | 0.6785 | |
| 159 | Q | A | -0.3520 | |
| 160 | S | A | -0.7082 | |
| 161 | G | A | -1.2991 | |
| 162 | N | A | -1.6768 | |
| 163 | S | A | -1.5318 | |
| 164 | Q | A | -1.4698 | |
| 165 | E | A | -1.9062 | |
| 166 | S | A | -0.9932 | |
| 167 | V | A | -0.8115 | |
| 168 | T | A | -1.1524 | |
| 169 | E | A | -2.2892 | |
| 170 | Q | A | 0.0000 | |
| 171 | D | A | -2.0599 | |
| 172 | S | A | -2.3631 | |
| 173 | K | A | -2.7300 | |
| 174 | D | A | -2.0115 | |
| 175 | S | A | 0.0000 | |
| 176 | T | A | 0.0000 | |
| 177 | Y | A | -1.3527 | |
| 178 | S | A | 0.0000 | |
| 179 | L | A | 0.0000 | |
| 180 | S | A | 0.0000 | |
| 181 | S | A | 0.0000 | |
| 182 | T | A | -0.7672 | |
| 183 | L | A | 0.0000 | |
| 184 | T | A | -0.5933 | |
| 185 | L | A | -0.9282 | |
| 186 | S | A | -1.1754 | |
| 187 | K | A | -2.2345 | |
| 188 | A | A | -2.0057 | |
| 189 | D | A | -2.7160 | |
| 190 | Y | A | 0.0000 | |
| 191 | E | A | -3.3972 | |
| 192 | K | A | -3.4802 | |
| 193 | H | A | -2.5729 | |
| 194 | K | A | -2.3205 | |
| 195 | V | A | -0.8447 | |
| 196 | Y | A | 0.0000 | |
| 197 | A | A | 0.0000 | |
| 198 | C | A | 0.0000 | |
| 199 | E | A | -0.9199 | |
| 200 | V | A | 0.0000 | |
| 201 | T | A | -1.1751 | |
| 202 | H | A | 0.0000 | |
| 203 | Q | A | -1.6085 | |
| 204 | G | A | -0.4500 | |
| 205 | L | A | -0.2411 | |
| 206 | S | A | -0.4799 | |
| 207 | S | A | -0.4053 | |
| 208 | P | A | -0.4835 | |
| 209 | V | A | -0.0204 | |
| 210 | T | A | -0.5083 | |
| 211 | K | A | -0.7386 | |
| 212 | S | A | -0.6047 | |
| 213 | F | A | 0.0000 | |
| 214 | N | A | -1.3684 | |
| 215 | R | A | -1.8686 | |
| 216 | G | A | -1.6709 | |
| 217 | E | A | -2.0514 | |
| 218 | C | A | -0.4340 | |
| 1 | Q | B | -1.4303 | |
| 2 | V | B | -0.7883 | |
| 3 | Q | B | -0.9692 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 0.5179 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.3623 | |
| 8 | G | B | -0.5016 | |
| 9 | V | B | -0.4443 | |
| 10 | E | B | -0.8259 | |
| 11 | V | B | -0.4431 | |
| 12 | K | B | -1.1885 | |
| 13 | K | B | -1.9144 | |
| 14 | P | B | -1.3488 | |
| 15 | G | B | -1.3008 | |
| 16 | A | B | -1.4373 | |
| 17 | S | B | -1.8259 | |
| 18 | V | B | 0.0000 | |
| 19 | K | B | -2.2930 | |
| 20 | V | B | 0.0000 | |
| 21 | S | B | -0.4743 | |
| 22 | C | B | 0.0000 | |
| 23 | K | B | -0.4619 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -0.6623 | |
| 26 | G | B | -0.9499 | |
| 27 | Y | B | -0.4959 | |
| 28 | T | B | -0.3958 | |
| 29 | F | B | 0.0000 | |
| 30 | T | B | -0.7107 | |
| 31 | N | B | -1.2958 | |
| 32 | Y | B | -0.2915 | |
| 33 | Y | B | -0.1408 | |
| 34 | M | B | 0.0000 | |
| 35 | Y | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | -0.6289 | |
| 40 | A | B | -1.0209 | |
| 41 | P | B | -1.0964 | |
| 42 | G | B | -1.2237 | |
| 43 | Q | B | -1.7452 | |
| 44 | G | B | -1.1524 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -0.5724 | |
| 47 | W | B | 0.0000 | |
| 48 | M | B | 0.0000 | |
| 49 | G | B | 0.0000 | |
| 50 | G | B | 0.0000 | |
| 51 | I | B | 0.0000 | |
| 52 | N | B | 0.0000 | |
| 53 | P | B | -0.8768 | |
| 54 | S | B | -1.1012 | |
| 55 | N | B | -1.6583 | |
| 56 | G | B | -1.1799 | |
| 57 | G | B | -1.1267 | |
| 58 | T | B | -0.9694 | |
| 59 | N | B | -1.5461 | |
| 60 | F | B | -1.6731 | |
| 61 | N | B | -2.0893 | |
| 62 | E | B | -3.4331 | |
| 63 | K | B | -3.1798 | |
| 64 | F | B | 0.0000 | |
| 65 | K | B | -3.2959 | |
| 66 | N | B | -2.7452 | |
| 67 | R | B | -2.3229 | |
| 68 | V | B | 0.0000 | |
| 69 | T | B | -1.1595 | |
| 70 | L | B | 0.0000 | |
| 71 | T | B | -0.3959 | |
| 72 | T | B | -0.6564 | |
| 73 | D | B | -0.9363 | |
| 74 | S | B | -0.7138 | |
| 75 | S | B | -0.5523 | |
| 76 | T | B | -0.5728 | |
| 77 | T | B | -0.5873 | |
| 78 | T | B | 0.0000 | |
| 79 | A | B | 0.0000 | |
| 80 | Y | B | -0.6439 | |
| 81 | M | B | 0.0000 | |
| 82 | E | B | -1.9082 | |
| 83 | L | B | 0.0000 | |
| 84 | K | B | -2.3940 | |
| 85 | S | B | -1.6184 | |
| 86 | L | B | 0.0000 | |
| 87 | Q | B | -1.0041 | |
| 88 | F | B | 0.3362 | |
| 89 | D | B | -1.1291 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.2704 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | 0.1165 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.0000 | |
| 96 | C | B | 0.0000 | |
| 97 | A | B | 0.0000 | |
| 98 | R | B | 0.0000 | |
| 99 | R | B | -0.1638 | |
| 100 | D | B | -0.3016 | |
| 101 | Y | B | 0.0066 | |
| 102 | R | B | -0.9835 | |
| 103 | F | B | 0.6583 | |
| 104 | D | B | 0.3744 | |
| 105 | M | B | 0.4801 | |
| 106 | G | B | 0.0000 | |
| 107 | F | B | 0.0000 | |
| 108 | D | B | -0.3190 | |
| 109 | Y | B | 0.0202 | |
| 110 | W | B | -0.2160 | |
| 111 | G | B | 0.0000 | |
| 112 | Q | B | -1.2456 | |
| 113 | G | B | -0.6292 | |
| 114 | T | B | 0.0000 | |
| 115 | T | B | -0.1547 | |
| 116 | V | B | 0.0000 | |
| 117 | T | B | 0.0000 | |
| 118 | V | B | 0.0000 | |
| 119 | S | B | -0.6136 | |
| 120 | S | B | -0.6887 | |
| 121 | A | B | -0.4986 | |
| 122 | S | B | -0.5276 | |
| 123 | T | B | -0.4635 | |
| 124 | K | B | -1.0074 | |
| 125 | G | B | -1.4138 | |
| 126 | P | B | -0.6547 | |
| 127 | S | B | -0.3573 | |
| 128 | V | B | 0.0000 | |
| 129 | F | B | 0.0000 | |
| 130 | P | B | -0.7833 | |
| 131 | L | B | 0.0000 | |
| 132 | A | B | 0.0000 | |
| 133 | P | B | -0.0790 | |
| 134 | C | B | -0.4615 | |
| 135 | S | B | -0.4842 | |
| 136 | R | B | -0.6046 | |
| 137 | S | B | -0.7642 | |
| 138 | T | B | -1.0023 | |
| 139 | S | B | -1.3385 | |
| 140 | E | B | -1.8452 | |
| 141 | S | B | -1.0663 | |
| 142 | T | B | -0.7312 | |
| 143 | A | B | 0.0000 | |
| 144 | A | B | 0.0000 | |
| 145 | L | B | 0.0000 | |
| 146 | G | B | 0.0000 | |
| 147 | C | B | 0.0000 | |
| 148 | L | B | 0.0000 | |
| 149 | V | B | 0.0000 | |
| 150 | K | B | -0.2586 | |
| 151 | D | B | -0.3280 | |
| 152 | Y | B | 0.0000 | |
| 153 | F | B | -0.1323 | |
| 154 | P | B | 0.0000 | |
| 155 | E | B | -0.5979 | |
| 156 | P | B | -0.7627 | |
| 157 | V | B | 0.0000 | |
| 158 | T | B | -0.8585 | |
| 159 | V | B | -0.5194 | |
| 160 | S | B | -0.5327 | |
| 161 | W | B | 0.0000 | |
| 162 | N | B | -0.9878 | |
| 163 | S | B | -0.7513 | |
| 164 | G | B | -0.5633 | |
| 165 | A | B | -0.2426 | |
| 166 | L | B | -0.0675 | |
| 167 | T | B | -0.1803 | |
| 168 | S | B | -0.1958 | |
| 169 | G | B | -0.2433 | |
| 170 | V | B | 0.1691 | |
| 171 | H | B | -0.3050 | |
| 172 | T | B | 0.0207 | |
| 173 | F | B | 0.0000 | |
| 174 | P | B | -0.3756 | |
| 175 | A | B | 0.1435 | |
| 176 | V | B | 0.4258 | |
| 177 | L | B | 1.1782 | |
| 178 | Q | B | 0.2438 | |
| 179 | S | B | -0.1027 | |
| 180 | S | B | -0.2439 | |
| 181 | G | B | 0.0169 | |
| 182 | L | B | 0.1903 | |
| 183 | Y | B | 0.4435 | |
| 184 | S | B | 0.0000 | |
| 185 | L | B | 0.0000 | |
| 186 | S | B | 0.0000 | |
| 187 | S | B | 0.0000 | |
| 188 | V | B | 0.0000 | |
| 189 | V | B | 0.0000 | |
| 190 | T | B | -0.1237 | |
| 191 | V | B | 0.0000 | |
| 192 | P | B | -0.6124 | |
| 193 | S | B | -0.7592 | |
| 194 | S | B | -0.5790 | |
| 195 | S | B | -0.7233 | |
| 196 | L | B | 0.0000 | |
| 197 | G | B | 0.0000 | |
| 198 | T | B | -0.8675 | |
| 199 | K | B | -1.4124 | |
| 200 | T | B | -1.1133 | |
| 201 | Y | B | 0.0000 | |
| 202 | T | B | -1.4412 | |
| 203 | C | B | 0.0000 | |
| 204 | N | B | -1.7213 | |
| 205 | V | B | 0.0000 | |
| 206 | D | B | -2.5883 | |
| 207 | H | B | 0.0000 | |
| 208 | K | B | -2.9648 | |
| 209 | P | B | -1.5955 | |
| 210 | S | B | -1.8315 | |
| 211 | N | B | -2.6588 | |
| 212 | T | B | -2.2556 | |
| 213 | K | B | -2.9496 | |
| 214 | V | B | -1.8749 | |
| 215 | D | B | -2.6857 | |
| 216 | K | B | -2.0398 | |
| 217 | R | B | -2.1933 | |
| 218 | V | B | 0.0000 | |
| 219 | E | B | 0.0000 | |
| 220 | S | B | 0.0000 | |
| 221 | K | B | -1.2076 | |
| 222 | Y | B | -0.1307 | |
| 223 | G | B | -0.5705 | |
| 224 | P | B | -0.7651 | |
| 225 | P | B | -0.6245 | |
| 226 | C | B | 0.0000 | |
| 227 | P | B | 0.0000 | |
| 228 | P | B | 0.3916 | |
| 229 | C | B | 0.7482 | |
| 233 | E | B | -0.4202 | |
| 234 | F | B | 0.1955 | |
| 235 | L | B | -0.0212 | |
| 236 | G | B | -0.2796 | |
| 237 | G | B | -0.2343 | |
| 238 | P | B | -0.3110 | |
| 239 | S | B | -0.0065 | |
| 240 | V | B | 0.0000 | |
| 241 | F | B | 1.3652 | |
| 242 | L | B | 0.0000 | |
| 243 | F | B | 1.1808 | |
| 244 | P | B | -0.1783 | |
| 245 | P | B | -1.4233 | |
| 246 | K | B | -2.8023 | |
| 247 | P | B | -2.5840 | |
| 248 | K | B | -2.9632 | |
| 249 | D | B | -2.5971 | |
| 250 | T | B | -0.7168 | |
| 251 | L | B | 1.5440 | |
| 252 | M | B | 2.2430 | |
| 253 | I | B | 2.0244 | |
| 254 | S | B | 0.3094 | |
| 255 | R | B | -0.9717 | |
| 256 | T | B | -0.7805 | |
| 257 | P | B | -1.2561 | |
| 258 | E | B | -1.2117 | |
| 259 | V | B | 0.0000 | |
| 260 | T | B | 0.0679 | |
| 261 | C | B | 0.0000 | |
| 262 | V | B | 0.8309 | |
| 263 | V | B | 0.0000 | |
| 264 | V | B | 0.0276 | |
| 265 | D | B | -0.8137 | |
| 266 | V | B | 0.0000 | |
| 267 | S | B | 0.0000 | |
| 268 | Q | B | -2.5089 | |
| 269 | E | B | -2.7742 | |
| 270 | D | B | -2.0259 | |
| 271 | P | B | -2.4530 | |
| 272 | E | B | -2.0782 | |
| 273 | V | B | -1.0662 | |
| 274 | Q | B | -0.8163 | |
| 275 | F | B | -0.5206 | |
| 276 | N | B | -0.8410 | |
| 277 | W | B | 0.0000 | |
| 278 | Y | B | -0.6565 | |
| 279 | V | B | 0.0000 | |
| 280 | D | B | -1.2017 | |
| 281 | G | B | -0.6129 | |
| 282 | V | B | 0.4536 | |
| 283 | E | B | -0.8118 | |
| 284 | V | B | -0.7877 | |
| 285 | H | B | -1.9040 | |
| 286 | N | B | -2.1458 | |
| 287 | A | B | -1.8565 | |
| 288 | K | B | -2.3923 | |
| 289 | T | B | -1.7747 | |
| 290 | K | B | -2.3560 | |
| 291 | P | B | -2.3345 | |
| 292 | R | B | -3.9440 | |
| 293 | E | B | -4.0642 | |
| 294 | E | B | -3.5207 | |
| 295 | Q | B | -2.0383 | |
| 296 | F | B | -0.1542 | |
| 297 | N | B | -0.7179 | |
| 298 | S | B | -0.9346 | |
| 299 | T | B | 0.0000 | |
| 300 | Y | B | -2.4242 | |
| 301 | R | B | -2.3549 | |
| 302 | V | B | 0.0000 | |
| 303 | V | B | -0.9345 | |
| 304 | S | B | 0.0000 | |
| 305 | V | B | 0.0000 | |
| 306 | L | B | 0.0000 | |
| 307 | T | B | -0.7093 | |
| 308 | V | B | -0.2781 | |
| 309 | L | B | -0.4731 | |
| 310 | H | B | -1.3567 | |
| 311 | Q | B | -1.4741 | |
| 312 | D | B | 0.0000 | |
| 313 | W | B | -0.4345 | |
| 314 | L | B | -0.3273 | |
| 315 | N | B | 0.0000 | |
| 316 | G | B | -1.2881 | |
| 317 | K | B | 0.0000 | |
| 318 | E | B | -1.6064 | |
| 319 | Y | B | 0.0000 | |
| 320 | K | B | -1.3629 | |
| 321 | C | B | 0.0000 | |
| 322 | K | B | -1.0904 | |
| 323 | V | B | 0.0000 | |
| 324 | S | B | 0.0000 | |
| 325 | N | B | 0.0000 | |
| 326 | K | B | -1.4413 | |
| 327 | G | B | -1.1489 | |
| 328 | L | B | -0.4188 | |
| 329 | P | B | -0.6347 | |
| 330 | S | B | -0.5343 | |
| 331 | S | B | -0.5677 | |
| 332 | I | B | -0.7725 | |
| 333 | E | B | -1.6534 | |
| 334 | K | B | -0.9683 | |
| 335 | T | B | -0.7352 | |
| 336 | I | B | -0.2394 | |
| 337 | S | B | -0.8853 | |
| 338 | K | B | -1.2856 | |
| 339 | A | B | -1.1157 | |
| 340 | K | B | -2.0973 | |
| 341 | G | B | -1.4994 | |
| 342 | Q | B | -1.7135 | |
| 343 | P | B | -1.6969 | |
| 344 | R | B | -1.8357 | |
| 345 | E | B | -2.6533 | |
| 346 | P | B | 0.0000 | |
| 347 | Q | B | -0.9607 | |
| 348 | V | B | 0.0000 | |
| 349 | Y | B | 0.0000 | |
| 350 | T | B | -0.7688 | |
| 351 | L | B | 0.0000 | |
| 352 | P | B | -0.3220 | |
| 353 | P | B | -0.6736 | |
| 354 | S | B | 0.0000 | |
| 355 | Q | B | -1.9163 | |
| 356 | E | B | -2.2165 | |
| 357 | E | B | 0.0000 | |
| 358 | M | B | -1.6195 | |
| 359 | T | B | -1.4865 | |
| 360 | K | B | -2.2238 | |
| 361 | N | B | -2.4983 | |
| 362 | Q | B | -2.2604 | |
| 363 | V | B | 0.0000 | |
| 364 | S | B | 0.0000 | |
| 365 | L | B | 0.0000 | |
| 366 | T | B | 0.0000 | |
| 367 | C | B | 0.0000 | |
| 368 | L | B | 0.0000 | |
| 369 | V | B | 0.0000 | |
| 370 | K | B | -0.5177 | |
| 371 | G | B | -0.9078 | |
| 372 | F | B | 0.0000 | |
| 373 | Y | B | 0.0000 | |
| 374 | P | B | -1.3164 | |
| 375 | S | B | -0.9448 | |
| 376 | D | B | -1.8978 | |
| 377 | I | B | -0.8610 | |
| 378 | A | B | -0.2404 | |
| 379 | V | B | 0.0000 | |
| 380 | E | B | -1.3718 | |
| 381 | W | B | 0.0000 | |
| 382 | E | B | -1.7398 | |
| 383 | S | B | 0.0000 | |
| 384 | N | B | -1.8207 | |
| 385 | G | B | -1.7495 | |
| 386 | Q | B | -2.1584 | |
| 387 | P | B | -1.9036 | |
| 388 | E | B | -1.9404 | |
| 389 | N | B | -2.0508 | |
| 390 | N | B | -1.3883 | |
| 391 | Y | B | -0.9335 | |
| 392 | K | B | -0.7921 | |
| 393 | T | B | -0.3211 | |
| 394 | T | B | 0.0000 | |
| 395 | P | B | -0.2922 | |
| 396 | P | B | -0.1964 | |
| 397 | V | B | 0.1382 | |
| 398 | L | B | 0.0731 | |
| 399 | D | B | -0.7616 | |
| 400 | S | B | -1.2487 | |
| 401 | D | B | -1.8577 | |
| 402 | G | B | 0.0000 | |
| 403 | S | B | 0.0000 | |
| 404 | F | B | -0.1906 | |
| 405 | F | B | 0.0000 | |
| 406 | L | B | 0.0000 | |
| 407 | Y | B | 0.0000 | |
| 408 | S | B | 0.0000 | |
| 409 | R | B | 0.0000 | |
| 410 | L | B | 0.0000 | |
| 411 | T | B | -0.8128 | |
| 412 | V | B | 0.0000 | |
| 413 | D | B | -2.5235 | |
| 414 | K | B | -2.5199 | |
| 415 | S | B | -2.2006 | |
| 416 | R | B | -2.0397 | |
| 417 | W | B | 0.0000 | |
| 418 | Q | B | -2.3469 | |
| 419 | Q | B | -2.1464 | |
| 420 | G | B | -1.3826 | |
| 421 | N | B | -0.9782 | |
| 422 | V | B | -0.2715 | |
| 423 | F | B | 0.0000 | |
| 424 | S | B | 0.0000 | |
| 425 | C | B | 0.0000 | |
| 426 | S | B | 0.0000 | |
| 427 | V | B | 0.0000 | |
| 428 | M | B | -0.7891 | |
| 429 | H | B | 0.0000 | |
| 430 | E | B | -2.8148 | |
| 431 | A | B | -2.1611 | |
| 432 | L | B | -1.9480 | |
| 433 | H | B | -2.1716 | |
| 434 | N | B | -2.2263 | |
| 435 | H | B | -2.2282 | |
| 436 | Y | B | -0.9093 | |
| 437 | T | B | -0.8020 | |
| 438 | Q | B | -1.1109 | |
| 439 | K | B | -1.3097 | |
| 440 | S | B | -0.8255 | |
| 441 | L | B | 0.0000 | |
| 442 | S | B | -0.2791 | |
| 443 | L | B | -0.2350 | |
| 444 | S | B | -0.1956 | |
| 1 | E | F | -1.7162 | |
| 2 | I | F | 0.0000 | |
| 3 | V | F | 0.5250 | |
| 4 | L | F | 0.0000 | |
| 5 | T | F | -0.7083 | |
| 6 | Q | F | -0.8354 | |
| 7 | S | F | -0.6814 | |
| 8 | P | F | -0.2942 | |
| 9 | A | F | -0.2773 | |
| 10 | T | F | -0.2091 | |
| 11 | L | F | -0.0825 | |
| 12 | S | F | -0.5075 | |
| 13 | L | F | -0.9938 | |
| 14 | S | F | -1.4408 | |
| 15 | P | F | -1.7481 | |
| 16 | G | F | -1.7403 | |
| 17 | E | F | -2.3536 | |
| 18 | R | F | -2.6146 | |
| 19 | A | F | 0.0000 | |
| 20 | T | F | -0.5833 | |
| 21 | L | F | 0.0000 | |
| 22 | S | F | -0.9225 | |
| 23 | C | F | 0.0000 | |
| 24 | R | F | -2.4571 | |
| 25 | A | F | 0.0000 | |
| 26 | S | F | -1.3022 | |
| 27 | K | F | -2.1143 | |
| 28 | G | F | -1.7260 | |
| 29 | V | F | 0.0000 | |
| 30 | S | F | -0.7212 | |
| 31 | T | F | -0.4772 | |
| 32 | S | F | -0.3159 | |
| 33 | G | F | -0.3381 | |
| 34 | Y | F | 0.0419 | |
| 35 | S | F | -0.2661 | |
| 36 | Y | F | -0.2748 | |
| 37 | L | F | 0.0000 | |
| 38 | H | F | 0.0000 | |
| 39 | W | F | 0.0000 | |
| 40 | Y | F | 0.0000 | |
| 41 | Q | F | 0.0000 | |
| 42 | Q | F | 0.0000 | |
| 43 | K | F | -1.4987 | |
| 44 | P | F | -1.3960 | |
| 45 | G | F | -1.4543 | |
| 46 | Q | F | -2.0748 | |
| 47 | A | F | -1.2670 | |
| 48 | P | F | 0.0000 | |
| 49 | R | F | -1.0092 | |
| 50 | L | F | 0.0000 | |
| 51 | L | F | 0.0000 | |
| 52 | I | F | 0.0000 | |
| 53 | Y | F | 0.6652 | |
| 54 | L | F | 0.0000 | |
| 55 | A | F | 0.0000 | |
| 56 | S | F | 0.3970 | |
| 57 | Y | F | 1.2793 | |
| 58 | L | F | 0.9733 | |
| 59 | E | F | 0.0891 | |
| 60 | S | F | -0.3030 | |
| 61 | G | F | -0.5275 | |
| 62 | V | F | 0.0000 | |
| 63 | P | F | -0.1972 | |
| 64 | A | F | -0.1162 | |
| 65 | R | F | -0.7051 | |
| 66 | F | F | 0.0000 | |
| 67 | S | F | -0.0306 | |
| 68 | G | F | -0.0263 | |
| 69 | S | F | -0.5397 | |
| 70 | G | F | -0.9111 | |
| 71 | S | F | -0.8091 | |
| 72 | G | F | -1.2223 | |
| 73 | T | F | -1.9146 | |
| 74 | D | F | -2.2060 | |
| 75 | F | F | 0.0000 | |
| 76 | T | F | -0.8188 | |
| 77 | L | F | 0.0000 | |
| 78 | T | F | -0.6311 | |
| 79 | I | F | 0.0000 | |
| 80 | S | F | -1.3334 | |
| 81 | S | F | -1.6396 | |
| 82 | L | F | 0.0000 | |
| 83 | E | F | -2.2735 | |
| 84 | P | F | -1.6841 | |
| 85 | E | F | -2.2970 | |
| 86 | D | F | 0.0000 | |
| 87 | F | F | -0.6646 | |
| 88 | A | F | 0.0000 | |
| 89 | V | F | -0.0668 | |
| 90 | Y | F | 0.0000 | |
| 91 | Y | F | 0.0000 | |
| 92 | C | F | 0.0000 | |
| 93 | Q | F | 0.0000 | |
| 94 | H | F | 0.0000 | |
| 95 | S | F | -0.7070 | |
| 96 | R | F | -1.7566 | |
| 97 | D | F | -1.4833 | |
| 98 | L | F | -0.7134 | |
| 99 | P | F | -0.7614 | |
| 100 | L | F | 0.0000 | |
| 101 | T | F | 0.0394 | |
| 102 | F | F | 0.2017 | |
| 103 | G | F | 0.0000 | |
| 104 | G | F | -0.6085 | |
| 105 | G | F | -0.5724 | |
| 106 | T | F | 0.0000 | |
| 107 | K | F | -0.5271 | |
| 108 | V | F | 0.0000 | |
| 109 | E | F | 0.0000 | |
| 110 | I | F | -0.8125 | |
| 111 | K | F | -1.4726 | |
| 112 | R | F | -0.9786 | |
| 113 | T | F | -0.1742 | |
| 114 | V | F | 0.3104 | |
| 115 | A | F | 0.0044 | |
| 116 | A | F | -0.1741 | |
| 117 | P | F | 0.0000 | |
| 118 | S | F | -0.2850 | |
| 119 | V | F | 0.0000 | |
| 120 | F | F | 0.0000 | |
| 121 | I | F | -0.0214 | |
| 122 | F | F | 0.0000 | |
| 123 | P | F | -0.2853 | |
| 124 | P | F | 0.0000 | |
| 125 | S | F | 0.0000 | |
| 126 | D | F | -2.8464 | |
| 127 | E | F | -2.6046 | |
| 128 | Q | F | 0.0000 | |
| 129 | L | F | -2.1245 | |
| 130 | K | F | -2.6844 | |
| 131 | S | F | -1.6768 | |
| 132 | G | F | -1.2642 | |
| 133 | T | F | -0.8796 | |
| 134 | A | F | 0.0000 | |
| 135 | S | F | 0.0000 | |
| 136 | V | F | 0.0000 | |
| 137 | V | F | 0.0000 | |
| 138 | C | F | 0.0000 | |
| 139 | L | F | 0.0000 | |
| 140 | L | F | 0.0000 | |
| 141 | N | F | 0.0000 | |
| 142 | N | F | -0.8923 | |
| 143 | F | F | 0.0000 | |
| 144 | Y | F | 0.0000 | |
| 145 | P | F | -1.6069 | |
| 146 | R | F | -2.5574 | |
| 147 | E | F | -3.0108 | |
| 148 | A | F | -2.2244 | |
| 149 | K | F | -2.3243 | |
| 150 | V | F | -1.2404 | |
| 151 | Q | F | -0.6803 | |
| 152 | W | F | 0.0000 | |
| 153 | K | F | -0.5329 | |
| 154 | V | F | 0.0000 | |
| 155 | D | F | -1.7093 | |
| 156 | N | F | -1.4682 | |
| 157 | A | F | -0.3001 | |
| 158 | L | F | 0.7433 | |
| 159 | Q | F | -0.0666 | |
| 160 | S | F | -0.4093 | |
| 161 | G | F | -1.0059 | |
| 162 | N | F | -0.9599 | |
| 163 | S | F | -1.4684 | |
| 164 | Q | F | -2.0580 | |
| 165 | E | F | -2.2989 | |
| 166 | S | F | -1.0032 | |
| 167 | V | F | -0.7888 | |
| 168 | T | F | -1.1315 | |
| 169 | E | F | -2.2759 | |
| 170 | Q | F | -1.8940 | |
| 171 | D | F | -2.1072 | |
| 172 | S | F | -1.8107 | |
| 173 | K | F | -2.3001 | |
| 174 | D | F | -1.7652 | |
| 175 | S | F | -1.7392 | |
| 176 | T | F | 0.0000 | |
| 177 | Y | F | 0.0000 | |
| 178 | S | F | 0.0000 | |
| 179 | L | F | 0.0000 | |
| 180 | S | F | 0.0000 | |
| 181 | S | F | 0.0000 | |
| 182 | T | F | -0.8911 | |
| 183 | L | F | 0.0000 | |
| 184 | T | F | -0.5481 | |
| 185 | L | F | -0.7680 | |
| 186 | S | F | -1.3739 | |
| 187 | K | F | -2.2560 | |
| 188 | A | F | -2.1030 | |
| 189 | D | F | -2.8528 | |
| 190 | Y | F | 0.0000 | |
| 191 | E | F | -3.6328 | |
| 192 | K | F | -3.4452 | |
| 193 | H | F | -2.5696 | |
| 194 | K | F | -2.1688 | |
| 195 | V | F | -0.9022 | |
| 196 | Y | F | 0.0000 | |
| 197 | A | F | 0.0000 | |
| 198 | C | F | 0.0000 | |
| 199 | E | F | -0.9156 | |
| 200 | V | F | 0.0000 | |
| 201 | T | F | -1.2265 | |
| 202 | H | F | 0.0000 | |
| 203 | Q | F | -1.3870 | |
| 204 | G | F | -0.5200 | |
| 205 | L | F | -0.2612 | |
| 206 | S | F | -0.4638 | |
| 207 | S | F | -0.4251 | |
| 208 | P | F | -0.5234 | |
| 209 | V | F | -0.1254 | |
| 210 | T | F | -0.5346 | |
| 211 | K | F | -0.7877 | |
| 212 | S | F | -0.5987 | |
| 213 | F | F | 0.0000 | |
| 214 | N | F | -1.0144 | |
| 215 | R | F | -1.3271 | |
| 216 | G | F | -0.9267 | |
| 217 | E | F | 0.0000 | |
| 218 | C | F | 0.0586 | |
| 1 | Q | G | -1.3748 | |
| 2 | V | G | -0.6797 | |
| 3 | Q | G | -0.8039 | |
| 4 | L | G | 0.0000 | |
| 5 | V | G | 0.4239 | |
| 6 | Q | G | 0.0000 | |
| 7 | S | G | -0.1966 | |
| 8 | G | G | 0.2770 | |
| 9 | V | G | 1.4666 | |
| 10 | E | G | 0.4401 | |
| 11 | V | G | 0.2722 | |
| 12 | K | G | -1.0749 | |
| 13 | K | G | -1.9380 | |
| 14 | P | G | -1.5127 | |
| 15 | G | G | -1.4094 | |
| 16 | A | G | -1.3972 | |
| 17 | S | G | -1.8694 | |
| 18 | V | G | 0.0000 | |
| 19 | K | G | -2.3168 | |
| 20 | V | G | 0.0000 | |
| 21 | S | G | -0.5701 | |
| 22 | C | G | 0.0000 | |
| 23 | K | G | -0.7493 | |
| 24 | A | G | 0.0000 | |
| 25 | S | G | -0.6980 | |
| 26 | G | G | -0.9197 | |
| 27 | Y | G | -0.4996 | |
| 28 | T | G | -0.4219 | |
| 29 | F | G | 0.0000 | |
| 30 | T | G | -0.7222 | |
| 31 | N | G | -1.3086 | |
| 32 | Y | G | -0.2951 | |
| 33 | Y | G | -0.1950 | |
| 34 | M | G | 0.0000 | |
| 35 | Y | G | 0.0000 | |
| 36 | W | G | 0.0000 | |
| 37 | V | G | 0.0000 | |
| 38 | R | G | 0.0000 | |
| 39 | Q | G | -0.6407 | |
| 40 | A | G | -1.0275 | |
| 41 | P | G | -1.0558 | |
| 42 | G | G | -1.2527 | |
| 43 | Q | G | -1.7564 | |
| 44 | G | G | -1.1124 | |
| 45 | L | G | 0.0000 | |
| 46 | E | G | -0.5659 | |
| 47 | W | G | 0.0000 | |
| 48 | M | G | 0.0000 | |
| 49 | G | G | 0.0000 | |
| 50 | G | G | 0.0000 | |
| 51 | I | G | 0.0000 | |
| 52 | N | G | 0.0000 | |
| 53 | P | G | -0.8958 | |
| 54 | S | G | -1.1480 | |
| 55 | N | G | -1.6140 | |
| 56 | G | G | -1.1841 | |
| 57 | G | G | -0.9525 | |
| 58 | T | G | -0.6071 | |
| 59 | N | G | -0.8561 | |
| 60 | F | G | -1.3069 | |
| 61 | N | G | -2.0711 | |
| 62 | E | G | -3.3354 | |
| 63 | K | G | -3.2340 | |
| 64 | F | G | 0.0000 | |
| 65 | K | G | -3.3165 | |
| 66 | N | G | -2.8352 | |
| 67 | R | G | -2.3063 | |
| 68 | V | G | 0.0000 | |
| 69 | T | G | -1.2638 | |
| 70 | L | G | 0.0000 | |
| 71 | T | G | -0.3659 | |
| 72 | T | G | -0.7696 | |
| 73 | D | G | -1.1033 | |
| 74 | S | G | -0.7612 | |
| 75 | S | G | -0.5701 | |
| 76 | T | G | -0.6463 | |
| 77 | T | G | -0.7577 | |
| 78 | T | G | 0.0000 | |
| 79 | A | G | 0.0000 | |
| 80 | Y | G | -0.6562 | |
| 81 | M | G | 0.0000 | |
| 82 | E | G | -2.0247 | |
| 83 | L | G | 0.0000 | |
| 84 | K | G | -2.5247 | |
| 85 | S | G | -1.7584 | |
| 86 | L | G | 0.0000 | |
| 87 | Q | G | -1.5126 | |
| 88 | F | G | 0.0982 | |
| 89 | D | G | -1.2629 | |
| 90 | D | G | 0.0000 | |
| 91 | T | G | -0.2891 | |
| 92 | A | G | 0.0000 | |
| 93 | V | G | 0.1615 | |
| 94 | Y | G | 0.0000 | |
| 95 | Y | G | 0.0000 | |
| 96 | C | G | 0.0000 | |
| 97 | A | G | 0.0000 | |
| 98 | R | G | 0.0000 | |
| 99 | R | G | -0.0881 | |
| 100 | D | G | -0.1847 | |
| 101 | Y | G | 0.2439 | |
| 102 | R | G | -0.6826 | |
| 103 | F | G | 1.2539 | |
| 104 | D | G | 0.5436 | |
| 105 | M | G | 0.7366 | |
| 106 | G | G | 0.0000 | |
| 107 | F | G | 0.0000 | |
| 108 | D | G | -0.2816 | |
| 109 | Y | G | 0.0620 | |
| 110 | W | G | -0.1741 | |
| 111 | G | G | 0.0000 | |
| 112 | Q | G | -1.2462 | |
| 113 | G | G | -0.4824 | |
| 114 | T | G | 0.0000 | |
| 115 | T | G | 0.3688 | |
| 116 | V | G | 0.0000 | |
| 117 | T | G | 0.0000 | |
| 118 | V | G | 0.0000 | |
| 119 | S | G | 0.0000 | |
| 120 | S | G | -0.6075 | |
| 121 | A | G | -0.6455 | |
| 122 | S | G | -0.6813 | |
| 123 | T | G | -0.6003 | |
| 124 | K | G | -1.1455 | |
| 125 | G | G | -1.3664 | |
| 126 | P | G | -0.6377 | |
| 127 | S | G | -0.3886 | |
| 128 | V | G | 0.0000 | |
| 129 | F | G | 0.0000 | |
| 130 | P | G | 0.0000 | |
| 131 | L | G | 0.0000 | |
| 132 | A | G | -0.0279 | |
| 133 | P | G | 0.0000 | |
| 134 | C | G | 0.0759 | |
| 135 | S | G | 0.0487 | |
| 136 | R | G | -0.4732 | |
| 137 | S | G | -0.4780 | |
| 138 | T | G | -1.1411 | |
| 139 | S | G | -1.9555 | |
| 140 | E | G | -2.5974 | |
| 141 | S | G | -1.7203 | |
| 142 | T | G | -0.8888 | |
| 143 | A | G | 0.0000 | |
| 144 | A | G | 0.0000 | |
| 145 | L | G | 0.0000 | |
| 146 | G | G | 0.0000 | |
| 147 | C | G | 0.0000 | |
| 148 | L | G | 0.0000 | |
| 149 | V | G | 0.0000 | |
| 150 | K | G | 0.0000 | |
| 151 | D | G | -0.3662 | |
| 152 | Y | G | 0.0000 | |
| 153 | F | G | 0.0000 | |
| 154 | P | G | 0.0000 | |
| 155 | E | G | -0.5591 | |
| 156 | P | G | -1.0485 | |
| 157 | V | G | -0.9670 | |
| 158 | T | G | -0.8026 | |
| 159 | V | G | -0.2960 | |
| 160 | S | G | -0.5548 | |
| 161 | W | G | 0.0000 | |
| 162 | N | G | -0.8193 | |
| 163 | S | G | -0.7715 | |
| 164 | G | G | -0.5789 | |
| 165 | A | G | -0.2540 | |
| 166 | L | G | -0.0705 | |
| 167 | T | G | -0.1673 | |
| 168 | S | G | -0.1578 | |
| 169 | G | G | -0.1596 | |
| 170 | V | G | 0.2275 | |
| 171 | H | G | -0.3159 | |
| 172 | T | G | 0.0228 | |
| 173 | F | G | 0.0000 | |
| 174 | P | G | -0.3545 | |
| 175 | A | G | 0.1468 | |
| 176 | V | G | 0.4220 | |
| 177 | L | G | 1.2945 | |
| 178 | Q | G | 0.2749 | |
| 179 | S | G | -0.0180 | |
| 180 | S | G | -0.1683 | |
| 181 | G | G | 0.1249 | |
| 182 | L | G | 0.0999 | |
| 183 | Y | G | 0.4015 | |
| 184 | S | G | 0.2747 | |
| 185 | L | G | 0.0000 | |
| 186 | S | G | 0.0000 | |
| 187 | S | G | 0.0000 | |
| 188 | V | G | 0.0000 | |
| 189 | V | G | 0.0000 | |
| 190 | T | G | -0.1151 | |
| 191 | V | G | 0.0000 | |
| 192 | P | G | -0.6528 | |
| 193 | S | G | -0.7279 | |
| 194 | S | G | -0.7479 | |
| 195 | S | G | -0.9174 | |
| 196 | L | G | 0.0000 | |
| 197 | G | G | -0.6955 | |
| 198 | T | G | -1.0377 | |
| 199 | K | G | -1.6970 | |
| 200 | T | G | -1.2549 | |
| 201 | Y | G | 0.0000 | |
| 202 | T | G | -1.0566 | |
| 203 | C | G | 0.0000 | |
| 204 | N | G | -1.6442 | |
| 205 | V | G | 0.0000 | |
| 206 | D | G | -2.4850 | |
| 207 | H | G | 0.0000 | |
| 208 | K | G | -2.9355 | |
| 209 | P | G | -1.7335 | |
| 210 | S | G | -1.8656 | |
| 211 | N | G | -2.6734 | |
| 212 | T | G | -2.1856 | |
| 213 | K | G | -2.9023 | |
| 214 | V | G | -1.6995 | |
| 215 | D | G | -2.5416 | |
| 216 | K | G | -1.7050 | |
| 217 | R | G | -1.5972 | |
| 218 | V | G | 0.0000 | |
| 219 | E | G | 0.0000 | |
| 220 | S | G | -1.1305 | |
| 221 | K | G | -1.5683 | |
| 222 | Y | G | 0.3215 | |
| 223 | G | G | -0.1337 | |
| 224 | P | G | -0.6495 | |
| 225 | P | G | -0.5971 | |
| 226 | C | G | -0.3072 | |
| 227 | P | G | 0.0000 | |
| 228 | P | G | 0.3225 | |
| 229 | C | G | 0.3611 | |
| 236 | G | G | -0.8632 | |
| 237 | G | G | -0.8609 | |
| 238 | P | G | -0.6664 | |
| 239 | S | G | -0.1813 | |
| 240 | V | G | 0.0000 | |
| 241 | F | G | 1.5181 | |
| 242 | L | G | 1.1239 | |
| 243 | F | G | 1.1959 | |
| 244 | P | G | -0.1204 | |
| 245 | P | G | 0.0000 | |
| 246 | K | G | -2.2930 | |
| 247 | P | G | -1.4855 | |
| 248 | K | G | -1.3106 | |
| 249 | D | G | -1.3980 | |
| 250 | T | G | 0.0000 | |
| 251 | L | G | 0.0000 | |
| 252 | M | G | 0.1577 | |
| 253 | I | G | 1.3577 | |
| 254 | S | G | -0.1333 | |
| 255 | R | G | -1.5474 | |
| 256 | T | G | -0.8689 | |
| 257 | P | G | 0.0000 | |
| 258 | E | G | -0.8987 | |
| 259 | V | G | 0.0000 | |
| 260 | T | G | 0.3282 | |
| 261 | C | G | 0.0000 | |
| 262 | V | G | 0.7047 | |
| 263 | V | G | 0.0000 | |
| 264 | V | G | -0.2102 | |
| 265 | D | G | -1.2666 | |
| 266 | V | G | 0.0000 | |
| 267 | S | G | -1.6763 | |
| 268 | Q | G | -1.8812 | |
| 269 | E | G | -2.9787 | |
| 270 | D | G | -1.9345 | |
| 271 | P | G | -1.8613 | |
| 272 | E | G | -1.2479 | |
| 273 | V | G | -0.6130 | |
| 274 | Q | G | -1.1561 | |
| 275 | F | G | -0.6547 | |
| 276 | N | G | -1.1393 | |
| 277 | W | G | 0.0000 | |
| 278 | Y | G | -0.6594 | |
| 279 | V | G | -0.6436 | |
| 280 | D | G | -1.6036 | |
| 281 | G | G | -0.6559 | |
| 282 | V | G | 0.7273 | |
| 283 | E | G | -0.6324 | |
| 284 | V | G | -0.7212 | |
| 285 | H | G | -1.8997 | |
| 286 | N | G | -2.1890 | |
| 287 | A | G | -1.9023 | |
| 288 | K | G | -2.4301 | |
| 289 | T | G | -1.7725 | |
| 290 | K | G | -2.3020 | |
| 291 | P | G | -2.0350 | |
| 292 | R | G | -3.1976 | |
| 293 | E | G | -3.3264 | |
| 294 | E | G | -2.1905 | |
| 295 | Q | G | -1.7093 | |
| 296 | F | G | -1.0019 | |
| 297 | N | G | -1.0249 | |
| 298 | S | G | -0.8097 | |
| 299 | T | G | -1.4845 | |
| 300 | Y | G | -2.0550 | |
| 301 | R | G | -2.1417 | |
| 302 | V | G | 0.0000 | |
| 303 | V | G | -0.7818 | |
| 304 | S | G | 0.0000 | |
| 305 | V | G | 0.0000 | |
| 306 | L | G | 0.0000 | |
| 307 | T | G | -0.6226 | |
| 308 | V | G | 0.0000 | |
| 309 | L | G | 0.8751 | |
| 310 | H | G | 0.0000 | |
| 311 | Q | G | -1.1998 | |
| 312 | D | G | -1.4912 | |
| 313 | W | G | 0.0000 | |
| 314 | L | G | -1.0148 | |
| 315 | N | G | -2.2418 | |
| 316 | G | G | -2.1347 | |
| 317 | K | G | -2.3137 | |
| 318 | E | G | -2.1545 | |
| 319 | Y | G | 0.0000 | |
| 320 | K | G | -1.4426 | |
| 321 | C | G | 0.0000 | |
| 322 | K | G | -1.5051 | |
| 323 | V | G | 0.0000 | |
| 324 | S | G | -1.0586 | |
| 325 | N | G | 0.0000 | |
| 326 | K | G | -2.3992 | |
| 327 | G | G | -1.6803 | |
| 328 | L | G | -0.7866 | |
| 329 | P | G | -0.6596 | |
| 330 | S | G | -0.5546 | |
| 331 | S | G | -0.7736 | |
| 332 | I | G | -0.7116 | |
| 333 | E | G | -1.5716 | |
| 334 | K | G | -0.9305 | |
| 335 | T | G | -0.8194 | |
| 336 | I | G | -0.2803 | |
| 337 | S | G | -1.1497 | |
| 338 | K | G | -1.3861 | |
| 339 | A | G | -1.2319 | |
| 340 | K | G | -2.3482 | |
| 341 | G | G | -1.9514 | |
| 342 | Q | G | -1.8972 | |
| 343 | P | G | -1.6798 | |
| 344 | R | G | -1.8732 | |
| 345 | E | G | -2.3496 | |
| 346 | P | G | 0.0000 | |
| 347 | Q | G | -1.0551 | |
| 348 | V | G | 0.0000 | |
| 349 | Y | G | 0.0000 | |
| 350 | T | G | 0.0000 | |
| 351 | L | G | 0.0000 | |
| 352 | P | G | -0.2779 | |
| 353 | P | G | -0.7166 | |
| 354 | S | G | 0.0000 | |
| 355 | Q | G | -2.0679 | |
| 356 | E | G | -2.5156 | |
| 357 | E | G | 0.0000 | |
| 358 | M | G | -1.7428 | |
| 359 | T | G | -1.5567 | |
| 360 | K | G | -2.2518 | |
| 361 | N | G | -2.4410 | |
| 362 | Q | G | -2.3712 | |
| 363 | V | G | 0.0000 | |
| 364 | S | G | 0.0000 | |
| 365 | L | G | 0.0000 | |
| 366 | T | G | 0.0000 | |
| 367 | C | G | 0.0000 | |
| 368 | L | G | 0.0000 | |
| 369 | V | G | 0.0000 | |
| 370 | K | G | -0.5399 | |
| 371 | G | G | -1.0043 | |
| 372 | F | G | 0.0000 | |
| 373 | Y | G | -1.0789 | |
| 374 | P | G | 0.0000 | |
| 375 | S | G | -0.3912 | |
| 376 | D | G | -1.4131 | |
| 377 | I | G | -0.6937 | |
| 378 | A | G | -0.4714 | |
| 379 | V | G | -0.2409 | |
| 380 | E | G | -1.1646 | |
| 381 | W | G | 0.0000 | |
| 382 | E | G | -2.1344 | |
| 383 | S | G | 0.0000 | |
| 384 | N | G | -1.9145 | |
| 385 | G | G | -1.8209 | |
| 386 | Q | G | -2.2049 | |
| 387 | P | G | -1.9905 | |
| 388 | E | G | -2.2226 | |
| 389 | N | G | -2.3558 | |
| 390 | N | G | -2.0953 | |
| 391 | Y | G | -1.3540 | |
| 392 | K | G | -1.1941 | |
| 393 | T | G | -0.4314 | |
| 394 | T | G | 0.0000 | |
| 395 | P | G | -0.0796 | |
| 396 | P | G | 0.0644 | |
| 397 | V | G | 0.5101 | |
| 398 | L | G | 0.6729 | |
| 399 | D | G | -0.5484 | |
| 400 | S | G | -1.1303 | |
| 401 | D | G | -1.8966 | |
| 402 | G | G | -0.9681 | |
| 403 | S | G | 0.0000 | |
| 404 | F | G | 0.1098 | |
| 405 | F | G | 0.0000 | |
| 406 | L | G | 0.0000 | |
| 407 | Y | G | 0.0000 | |
| 408 | S | G | 0.0000 | |
| 409 | R | G | 0.0000 | |
| 410 | L | G | 0.0000 | |
| 411 | T | G | -1.0379 | |
| 412 | V | G | 0.0000 | |
| 413 | D | G | -2.2852 | |
| 414 | K | G | -2.6166 | |
| 415 | S | G | -2.5595 | |
| 416 | R | G | -2.8959 | |
| 417 | W | G | 0.0000 | |
| 418 | Q | G | -2.5891 | |
| 419 | Q | G | -2.5302 | |
| 420 | G | G | -1.5662 | |
| 421 | N | G | -1.3764 | |
| 422 | V | G | -0.4604 | |
| 423 | F | G | 0.0000 | |
| 424 | S | G | -1.2317 | |
| 425 | C | G | 0.0000 | |
| 426 | S | G | 0.0000 | |
| 427 | V | G | 0.0000 | |
| 428 | M | G | 0.0000 | |
| 429 | H | G | 0.0000 | |
| 430 | E | G | -1.1009 | |
| 431 | A | G | -1.3690 | |
| 432 | L | G | -1.2912 | |
| 433 | H | G | -1.7012 | |
| 434 | N | G | -1.6334 | |
| 435 | H | G | -0.8995 | |
| 436 | Y | G | -0.3462 | |
| 437 | T | G | -0.7601 | |
| 438 | Q | G | -1.3500 | |
| 439 | K | G | -1.0651 | |
| 440 | S | G | -0.7773 | |
| 441 | L | G | 0.0000 | |
| 442 | S | G | -0.1822 | |
| 443 | L | G | -0.2878 | |
| 444 | S | G | -0.1615 |
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 | -0.6575 | 3.7661 | View | CSV | PDB |
| 4.5 | -0.7068 | 3.7538 | View | CSV | PDB |
| 5.0 | -0.7657 | 3.7427 | View | CSV | PDB |
| 5.5 | -0.822 | 3.7452 | View | CSV | PDB |
| 6.0 | -0.8623 | 3.7705 | View | CSV | PDB |
| 6.5 | -0.8769 | 3.8189 | View | CSV | PDB |
| 7.0 | -0.8657 | 3.8857 | View | CSV | PDB |
| 7.5 | -0.8377 | 3.9637 | View | CSV | PDB |
| 8.0 | -0.8006 | 4.0464 | View | CSV | PDB |
| 8.5 | -0.7571 | 4.1302 | View | CSV | PDB |
| 9.0 | -0.7077 | 4.2123 | 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