| Chain sequence(s) |
A: NIVLTQSPASLAVSLGQRATISCRASESVDSYGNSFMHWYQQKPGQPPKLLIYLASNLESGVPARFSGSGSRTDFTLTIDPVEADDAATYYCQQNNEDPPWTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
C: EVQLQQSGAELVKPGASVKMSCTASGFNIKDTYIHWVKQRPEQGLEWIGRIDPANGITKYDPKFQGRATITADTSSNTVYLQLSSLTSEDTTVYYCVRSLVEDFDYWGQGTTLTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK B: NIVLTQSPASLAVSLGQRATISCRASESVDSYGNSFMHWYQQKPGQPPKLLIYLASNLESGVPARFSGSGSRTDFTLTIDPVEADDAATYYCQQNNEDPPWTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC D: EVQLQQSGAELVKPGASVKMSCTASGFNIKDTYIHWVKQRPEQGLEWIGRIDPANGITKYDPKFQGRATITADTSSNTVYLQLSSLTSEDTTVYYCVRSLVEDFDYWGQGTTLTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK input PDB |
| Selected Chain(s) | A,C,B,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. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:28:27)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e1dd34ec86ad53b/tmp/folded.pdb (00:28:27)
[INFO] Main: Simulation completed successfully. (00:49:56)
|
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 | N | A | -1.4801 | |
| 2 | I | A | 0.0000 | |
| 3 | V | A | 0.3474 | |
| 4 | L | A | 0.0000 | |
| 5 | T | A | -0.7485 | |
| 6 | Q | A | -0.7824 | |
| 7 | S | A | -0.7368 | |
| 8 | P | A | -0.4211 | |
| 9 | A | A | -0.4993 | |
| 10 | S | A | -0.5979 | |
| 11 | L | A | -0.3448 | |
| 12 | A | A | -0.5002 | |
| 13 | V | A | 0.0000 | |
| 14 | S | A | -1.1451 | |
| 15 | L | A | -0.5780 | |
| 16 | G | A | -1.5343 | |
| 17 | Q | A | -2.7111 | |
| 18 | R | A | -3.2730 | |
| 19 | A | A | 0.0000 | |
| 20 | T | A | -0.7773 | |
| 21 | I | A | 0.0000 | |
| 22 | S | A | -0.9871 | |
| 23 | C | A | 0.0000 | |
| 24 | R | A | -2.7597 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -1.5813 | |
| 27 | E | A | -2.8101 | |
| 28 | S | A | -2.4882 | |
| 29 | V | A | 0.0000 | |
| 30 | D | A | -1.6332 | |
| 31 | S | A | -0.4312 | |
| 32 | Y | A | 0.7596 | |
| 33 | G | A | -0.2847 | |
| 34 | N | A | -0.8663 | |
| 35 | S | A | -0.9279 | |
| 36 | F | A | -0.5318 | |
| 37 | M | 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 | -1.0804 | |
| 43 | K | A | -1.4514 | |
| 44 | P | A | -1.1840 | |
| 45 | G | A | -1.4537 | |
| 46 | Q | A | -1.8925 | |
| 47 | P | A | -1.2627 | |
| 48 | P | A | 0.0000 | |
| 49 | K | A | -1.4012 | |
| 50 | L | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | I | A | 0.0000 | |
| 53 | Y | A | 0.1306 | |
| 54 | L | A | -0.1305 | |
| 55 | A | A | 0.0000 | |
| 56 | S | A | -0.4961 | |
| 57 | N | A | -0.3772 | |
| 58 | L | A | 0.0300 | |
| 59 | E | A | -0.5582 | |
| 60 | S | A | -0.5925 | |
| 61 | G | A | -0.5937 | |
| 62 | V | A | 0.0000 | |
| 63 | P | A | -0.3014 | |
| 64 | A | A | -0.4163 | |
| 65 | R | A | -1.2772 | |
| 66 | F | A | 0.0000 | |
| 67 | S | A | -0.6456 | |
| 68 | G | A | -0.3430 | |
| 69 | S | A | -0.7449 | |
| 70 | G | A | -1.4332 | |
| 71 | S | A | -1.8860 | |
| 72 | R | A | -3.1354 | |
| 73 | T | A | -2.7812 | |
| 74 | D | A | -2.7270 | |
| 75 | F | A | 0.0000 | |
| 76 | T | A | -0.8356 | |
| 77 | L | A | 0.0000 | |
| 78 | T | A | -1.0638 | |
| 79 | I | A | 0.0000 | |
| 80 | D | A | -3.1599 | |
| 81 | P | A | -2.5235 | |
| 82 | V | A | 0.0000 | |
| 83 | E | A | -2.0346 | |
| 84 | A | A | -1.8380 | |
| 85 | D | A | -2.2372 | |
| 86 | D | A | 0.0000 | |
| 87 | A | A | 0.0000 | |
| 88 | A | A | 0.0000 | |
| 89 | T | A | -0.6830 | |
| 90 | Y | A | 0.0000 | |
| 91 | Y | A | 0.0000 | |
| 92 | C | A | 0.0000 | |
| 93 | Q | A | 0.0000 | |
| 94 | Q | A | 0.0000 | |
| 95 | N | A | 0.0000 | |
| 96 | N | A | -1.3733 | |
| 97 | E | A | -1.8689 | |
| 98 | D | A | -1.4451 | |
| 99 | P | A | -1.1891 | |
| 100 | P | A | 0.0000 | |
| 101 | W | A | 0.0000 | |
| 102 | T | A | -0.2907 | |
| 103 | F | A | 0.1642 | |
| 104 | G | A | 0.0000 | |
| 105 | G | A | -1.0455 | |
| 106 | G | A | -0.9607 | |
| 107 | T | A | 0.0000 | |
| 108 | K | A | -1.1860 | |
| 109 | L | A | 0.0000 | |
| 110 | E | A | -1.1561 | |
| 111 | I | A | 0.0000 | |
| 112 | K | A | -1.3595 | |
| 113 | R | A | -0.9161 | |
| 114 | T | A | -0.1699 | |
| 115 | V | A | 0.3067 | |
| 116 | A | A | -0.1865 | |
| 117 | A | A | -0.3050 | |
| 118 | P | A | 0.0000 | |
| 119 | S | A | 0.0000 | |
| 120 | V | A | 0.0000 | |
| 121 | F | A | 0.0000 | |
| 122 | I | A | 0.0000 | |
| 123 | F | A | 0.0000 | |
| 124 | P | A | -0.5659 | |
| 125 | P | A | 0.0000 | |
| 126 | S | A | -1.6026 | |
| 127 | D | A | -2.8265 | |
| 128 | E | A | -2.5133 | |
| 129 | Q | A | 0.0000 | |
| 130 | L | A | -2.0672 | |
| 131 | K | A | -2.6743 | |
| 132 | S | A | -1.6390 | |
| 133 | G | A | -1.1868 | |
| 134 | T | A | -0.8355 | |
| 135 | A | A | 0.0000 | |
| 136 | S | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | V | A | 0.0000 | |
| 139 | C | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | N | A | 0.0000 | |
| 143 | N | A | 0.0000 | |
| 144 | F | A | 0.0000 | |
| 145 | Y | A | 0.0000 | |
| 146 | P | A | -1.5133 | |
| 147 | R | A | -2.4936 | |
| 148 | E | A | -3.0302 | |
| 149 | A | A | -2.2169 | |
| 150 | K | A | -2.4204 | |
| 151 | V | A | -1.1706 | |
| 152 | Q | A | -0.6110 | |
| 153 | W | A | 0.0000 | |
| 154 | K | A | -0.1575 | |
| 155 | V | A | 0.0000 | |
| 156 | D | A | -0.8277 | |
| 157 | N | A | -0.6777 | |
| 158 | A | A | 0.0729 | |
| 159 | L | A | 0.9746 | |
| 160 | Q | A | 0.0839 | |
| 161 | S | A | -0.2517 | |
| 162 | G | A | -1.3278 | |
| 163 | N | A | -1.0839 | |
| 164 | S | A | -0.9646 | |
| 165 | Q | A | -1.1590 | |
| 166 | E | A | -1.5570 | |
| 167 | S | A | -0.8016 | |
| 168 | V | A | -0.6129 | |
| 169 | T | A | -0.7492 | |
| 170 | E | A | -1.4966 | |
| 171 | Q | A | -1.5478 | |
| 172 | D | A | -1.6715 | |
| 173 | S | A | -2.0640 | |
| 174 | K | A | -2.4898 | |
| 175 | D | A | -1.5013 | |
| 176 | S | A | 0.0000 | |
| 177 | T | A | 0.0000 | |
| 178 | Y | A | 0.0000 | |
| 179 | S | A | 0.0000 | |
| 180 | L | A | 0.0000 | |
| 181 | S | A | 0.0000 | |
| 182 | S | A | 0.0000 | |
| 183 | T | A | -0.5548 | |
| 184 | L | A | 0.0000 | |
| 185 | T | A | -0.3306 | |
| 186 | L | A | -0.4130 | |
| 187 | S | A | -0.7241 | |
| 188 | K | A | -1.5018 | |
| 189 | A | A | -1.4619 | |
| 190 | D | A | -1.3080 | |
| 191 | Y | A | 0.0000 | |
| 192 | E | A | -2.2003 | |
| 193 | K | A | -1.6808 | |
| 194 | H | A | -1.3538 | |
| 195 | K | A | -1.4856 | |
| 196 | V | A | -0.8473 | |
| 197 | Y | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | C | A | 0.0000 | |
| 200 | E | A | -0.7582 | |
| 201 | V | A | 0.0000 | |
| 202 | T | A | -1.3087 | |
| 203 | H | A | 0.0000 | |
| 204 | Q | A | -1.7208 | |
| 205 | G | A | -0.5578 | |
| 206 | L | A | 0.0000 | |
| 207 | S | A | -0.4698 | |
| 208 | S | A | -0.2289 | |
| 209 | P | A | -0.5822 | |
| 210 | V | A | 0.0000 | |
| 211 | T | A | -0.3627 | |
| 212 | K | A | -0.4647 | |
| 213 | S | A | -0.3839 | |
| 214 | F | A | 0.0000 | |
| 215 | N | A | -0.9657 | |
| 216 | R | A | -1.3892 | |
| 217 | G | A | -1.3606 | |
| 218 | E | A | -1.1358 | |
| 219 | C | A | -0.5497 | |
| 1 | N | B | -1.4073 | |
| 2 | I | B | 0.0000 | |
| 3 | V | B | 0.5956 | |
| 4 | L | B | 0.0000 | |
| 5 | T | B | -0.5624 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.6370 | |
| 8 | P | B | -0.4774 | |
| 9 | A | B | -0.6383 | |
| 10 | S | B | -0.8759 | |
| 11 | L | B | -0.5546 | |
| 12 | A | B | -0.6752 | |
| 13 | V | B | 0.0000 | |
| 14 | S | B | -1.2405 | |
| 15 | L | B | -0.7693 | |
| 16 | G | B | -1.4906 | |
| 17 | Q | B | -2.5951 | |
| 18 | R | B | -3.2119 | |
| 19 | A | B | 0.0000 | |
| 20 | T | B | -0.7744 | |
| 21 | I | B | 0.0000 | |
| 22 | S | B | -0.8473 | |
| 23 | C | B | 0.0000 | |
| 24 | R | B | -2.5145 | |
| 25 | A | B | 0.0000 | |
| 26 | S | B | -1.4459 | |
| 27 | E | B | -2.7230 | |
| 28 | S | B | -2.4625 | |
| 29 | V | B | 0.0000 | |
| 30 | D | B | -1.7732 | |
| 31 | S | B | -0.4770 | |
| 32 | Y | B | 0.7353 | |
| 33 | G | B | -0.3079 | |
| 34 | N | B | -0.9032 | |
| 35 | S | B | -1.0050 | |
| 36 | F | B | -0.5515 | |
| 37 | M | B | 0.0000 | |
| 38 | H | B | 0.0000 | |
| 39 | W | B | 0.0000 | |
| 40 | Y | B | 0.0000 | |
| 41 | Q | B | 0.0000 | |
| 42 | Q | B | -1.1520 | |
| 43 | K | B | -1.5302 | |
| 44 | P | B | -1.1468 | |
| 45 | G | B | -1.3330 | |
| 46 | Q | B | -1.6641 | |
| 47 | P | B | -1.2044 | |
| 48 | P | B | 0.0000 | |
| 49 | K | B | -1.6791 | |
| 50 | L | B | 0.0000 | |
| 51 | L | B | 0.0000 | |
| 52 | I | B | 0.0000 | |
| 53 | Y | B | 0.1252 | |
| 54 | L | B | -0.1491 | |
| 55 | A | B | 0.0000 | |
| 56 | S | B | -0.5062 | |
| 57 | N | B | -0.3743 | |
| 58 | L | B | 0.0583 | |
| 59 | E | B | -0.5716 | |
| 60 | S | B | -0.5522 | |
| 61 | G | B | -0.5194 | |
| 62 | V | B | -0.3726 | |
| 63 | P | B | -0.2238 | |
| 64 | A | B | -0.3774 | |
| 65 | R | B | -1.2479 | |
| 66 | F | B | 0.0000 | |
| 67 | S | B | -0.6258 | |
| 68 | G | B | -0.3431 | |
| 69 | S | B | -0.6983 | |
| 70 | G | B | -1.3348 | |
| 71 | S | B | -1.8715 | |
| 72 | R | B | -3.0839 | |
| 73 | T | B | -2.5934 | |
| 74 | D | B | -2.2910 | |
| 75 | F | B | 0.0000 | |
| 76 | T | B | -0.7310 | |
| 77 | L | B | 0.0000 | |
| 78 | T | B | -1.0620 | |
| 79 | I | B | 0.0000 | |
| 80 | D | B | -3.1225 | |
| 81 | P | B | -2.4794 | |
| 82 | V | B | 0.0000 | |
| 83 | E | B | -2.1639 | |
| 84 | A | B | -2.0864 | |
| 85 | D | B | -2.5886 | |
| 86 | D | B | 0.0000 | |
| 87 | A | B | 0.0000 | |
| 88 | A | B | 0.0000 | |
| 89 | T | B | 0.0000 | |
| 90 | Y | B | 0.0000 | |
| 91 | Y | B | 0.0000 | |
| 92 | C | B | 0.0000 | |
| 93 | Q | B | 0.0000 | |
| 94 | Q | B | 0.0000 | |
| 95 | N | B | 0.0000 | |
| 96 | N | B | -1.3479 | |
| 97 | E | B | -1.8257 | |
| 98 | D | B | -1.4243 | |
| 99 | P | B | -1.1570 | |
| 100 | P | B | 0.0000 | |
| 101 | W | B | 0.0000 | |
| 102 | T | B | -0.2863 | |
| 103 | F | B | 0.1695 | |
| 104 | G | B | 0.0000 | |
| 105 | G | B | -1.0623 | |
| 106 | G | B | -1.0817 | |
| 107 | T | B | 0.0000 | |
| 108 | K | B | -1.9110 | |
| 109 | L | B | 0.0000 | |
| 110 | E | B | -1.4670 | |
| 111 | I | B | 0.0000 | |
| 112 | K | B | -1.4670 | |
| 113 | R | B | -0.9983 | |
| 114 | T | B | -0.1988 | |
| 115 | V | B | 0.1700 | |
| 116 | A | B | 0.0000 | |
| 117 | A | B | 0.0000 | |
| 118 | P | B | 0.0000 | |
| 119 | S | B | 0.0000 | |
| 120 | V | B | 0.0000 | |
| 121 | F | B | 0.0000 | |
| 122 | I | B | 0.0000 | |
| 123 | F | B | 0.0000 | |
| 124 | P | B | -0.6770 | |
| 125 | P | B | 0.0000 | |
| 126 | S | B | -1.6904 | |
| 127 | D | B | -2.9049 | |
| 128 | E | B | -2.5731 | |
| 129 | Q | B | 0.0000 | |
| 130 | L | B | -2.1457 | |
| 131 | K | B | -2.7212 | |
| 132 | S | B | -1.6857 | |
| 133 | G | B | -1.2837 | |
| 134 | T | B | -0.9091 | |
| 135 | A | B | 0.0000 | |
| 136 | S | B | 0.0000 | |
| 137 | V | B | 0.0000 | |
| 138 | V | B | 0.0000 | |
| 139 | C | B | 0.0000 | |
| 140 | L | B | 0.0000 | |
| 141 | L | B | 0.0000 | |
| 142 | N | B | 0.0000 | |
| 143 | N | B | -0.4074 | |
| 144 | F | B | 0.0000 | |
| 145 | Y | B | 0.0000 | |
| 146 | P | B | -1.8090 | |
| 147 | R | B | -3.0995 | |
| 148 | E | B | -3.2916 | |
| 149 | A | B | -2.3242 | |
| 150 | K | B | -2.5170 | |
| 151 | V | B | -0.9858 | |
| 152 | Q | B | -0.4140 | |
| 153 | W | B | 0.0000 | |
| 154 | K | B | -0.0179 | |
| 155 | V | B | 0.0000 | |
| 156 | D | B | -0.8780 | |
| 157 | N | B | -0.6537 | |
| 158 | A | B | 0.1132 | |
| 159 | L | B | 1.0824 | |
| 160 | Q | B | 0.1789 | |
| 161 | S | B | -0.1867 | |
| 162 | G | B | -1.2946 | |
| 163 | N | B | -1.0907 | |
| 164 | S | B | -0.9403 | |
| 165 | Q | B | -1.1199 | |
| 166 | E | B | -1.5378 | |
| 167 | S | B | -0.6827 | |
| 168 | V | B | -0.5850 | |
| 169 | T | B | 0.0000 | |
| 170 | E | B | -2.0424 | |
| 171 | Q | B | -1.9389 | |
| 172 | D | B | -1.9386 | |
| 173 | S | B | -2.2753 | |
| 174 | K | B | -2.6319 | |
| 175 | D | B | -1.6887 | |
| 176 | S | B | 0.0000 | |
| 177 | T | B | 0.0000 | |
| 178 | Y | B | 0.0000 | |
| 179 | S | B | 0.0000 | |
| 180 | L | B | 0.0000 | |
| 181 | S | B | 0.0000 | |
| 182 | S | B | 0.0000 | |
| 183 | T | B | -0.5280 | |
| 184 | L | B | 0.0000 | |
| 185 | T | B | -0.3576 | |
| 186 | L | B | -0.4948 | |
| 187 | S | B | -0.8400 | |
| 188 | K | B | -1.8226 | |
| 189 | A | B | -2.0920 | |
| 190 | D | B | -1.9808 | |
| 191 | Y | B | 0.0000 | |
| 192 | E | B | -3.1427 | |
| 193 | K | B | -3.1592 | |
| 194 | H | B | -1.9963 | |
| 195 | K | B | -1.8157 | |
| 196 | V | B | -0.8640 | |
| 197 | Y | B | 0.0000 | |
| 198 | A | B | 0.0000 | |
| 199 | C | B | 0.0000 | |
| 200 | E | B | -0.4983 | |
| 201 | V | B | 0.0000 | |
| 202 | T | B | -1.2211 | |
| 203 | H | B | 0.0000 | |
| 204 | Q | B | -1.7854 | |
| 205 | G | B | -0.4771 | |
| 206 | L | B | 0.0000 | |
| 207 | S | B | -0.4332 | |
| 208 | S | B | -0.2129 | |
| 209 | P | B | -0.4757 | |
| 210 | V | B | 0.0000 | |
| 211 | T | B | -0.2224 | |
| 212 | K | B | -0.4169 | |
| 213 | S | B | -0.3584 | |
| 214 | F | B | 0.0000 | |
| 215 | N | B | -1.1638 | |
| 216 | R | B | -1.7952 | |
| 217 | G | B | -1.8034 | |
| 218 | E | B | -2.0082 | |
| 219 | C | B | -1.2848 | |
| 1 | E | C | -2.0927 | |
| 2 | V | C | -1.4098 | |
| 3 | Q | C | -1.7171 | |
| 4 | L | C | 0.0000 | |
| 5 | Q | C | -1.7716 | |
| 6 | Q | C | 0.0000 | |
| 7 | S | C | -0.9518 | |
| 8 | G | C | -1.2666 | |
| 9 | A | C | -0.9979 | |
| 10 | E | C | -1.2649 | |
| 11 | L | C | -0.5501 | |
| 12 | V | C | -0.8887 | |
| 13 | K | C | -1.8948 | |
| 14 | P | C | -1.2886 | |
| 15 | G | C | -1.0888 | |
| 16 | A | C | -0.8730 | |
| 17 | S | C | -1.0673 | |
| 18 | V | C | 0.0000 | |
| 19 | K | C | -1.9229 | |
| 20 | M | C | 0.0000 | |
| 21 | S | C | -0.6547 | |
| 22 | C | C | 0.0000 | |
| 23 | T | C | -0.7905 | |
| 24 | A | C | 0.0000 | |
| 25 | S | C | -1.3356 | |
| 26 | G | C | -1.4037 | |
| 27 | F | C | -1.3729 | |
| 28 | N | C | -1.9988 | |
| 29 | I | C | 0.0000 | |
| 30 | K | C | -2.6279 | |
| 31 | D | C | -2.3858 | |
| 32 | T | C | 0.0000 | |
| 33 | Y | C | 0.3642 | |
| 34 | I | C | 0.0000 | |
| 35 | H | C | 0.0000 | |
| 36 | W | C | 0.0000 | |
| 37 | V | C | 0.0000 | |
| 38 | K | C | 0.0000 | |
| 39 | Q | C | -0.8617 | |
| 40 | R | C | -1.5853 | |
| 41 | P | C | -1.6185 | |
| 42 | E | C | -2.6773 | |
| 43 | Q | C | -2.4581 | |
| 44 | G | C | -1.5839 | |
| 45 | L | C | 0.0000 | |
| 46 | E | C | -0.8151 | |
| 47 | W | C | 0.0000 | |
| 48 | I | C | 0.0000 | |
| 49 | G | C | 0.0000 | |
| 50 | R | C | -0.1484 | |
| 51 | I | C | 0.0000 | |
| 52 | D | C | -0.5524 | |
| 53 | P | C | 0.0000 | |
| 54 | A | C | -1.3377 | |
| 55 | N | C | -1.0730 | |
| 56 | G | C | -0.3832 | |
| 57 | I | C | 1.2050 | |
| 58 | T | C | 0.3262 | |
| 59 | K | C | -0.5660 | |
| 60 | Y | C | -1.1699 | |
| 61 | D | C | -1.5574 | |
| 62 | P | C | -1.8543 | |
| 63 | K | C | -2.3205 | |
| 64 | F | C | 0.0000 | |
| 65 | Q | C | -2.1399 | |
| 66 | G | C | -1.5189 | |
| 67 | R | C | -1.4831 | |
| 68 | A | C | 0.0000 | |
| 69 | T | C | -0.8851 | |
| 70 | I | C | 0.0000 | |
| 71 | T | C | -0.1050 | |
| 72 | A | C | -0.5888 | |
| 73 | D | C | -1.0606 | |
| 74 | T | C | -1.0905 | |
| 75 | S | C | -0.7299 | |
| 76 | S | C | -0.7406 | |
| 77 | N | C | -1.0022 | |
| 78 | T | C | 0.0000 | |
| 79 | V | C | 0.0000 | |
| 80 | Y | C | -0.4552 | |
| 81 | L | C | 0.0000 | |
| 82 | Q | C | -1.3555 | |
| 83 | L | C | 0.0000 | |
| 84 | S | C | -0.9372 | |
| 85 | S | C | -0.8377 | |
| 86 | L | C | 0.0000 | |
| 87 | T | C | -1.2209 | |
| 88 | S | C | -1.4003 | |
| 89 | E | C | -1.9759 | |
| 90 | D | C | 0.0000 | |
| 91 | T | C | -0.7553 | |
| 92 | T | C | 0.0000 | |
| 93 | V | C | 0.0260 | |
| 94 | Y | C | 0.0000 | |
| 95 | Y | C | 0.0000 | |
| 96 | C | C | 0.0000 | |
| 97 | V | C | 0.0000 | |
| 98 | R | C | 0.3521 | |
| 99 | S | C | 0.0000 | |
| 100 | L | C | 1.3093 | |
| 101 | V | C | 1.9160 | |
| 102 | E | C | 0.5770 | |
| 103 | D | C | 0.2875 | |
| 104 | F | C | 0.0000 | |
| 105 | D | C | -0.1172 | |
| 106 | Y | C | 0.0652 | |
| 107 | W | C | -0.6131 | |
| 108 | G | C | 0.0000 | |
| 109 | Q | C | -1.8098 | |
| 110 | G | C | -1.0016 | |
| 111 | T | C | 0.0000 | |
| 112 | T | C | -0.3955 | |
| 113 | L | C | 0.0000 | |
| 114 | T | C | 0.0000 | |
| 115 | V | C | 0.0000 | |
| 116 | S | C | -0.7925 | |
| 117 | S | C | -0.8212 | |
| 118 | A | C | -0.5382 | |
| 119 | S | C | -0.6556 | |
| 120 | T | C | -0.8656 | |
| 121 | K | C | -1.3270 | |
| 122 | G | C | -1.4123 | |
| 123 | P | C | 0.0000 | |
| 124 | S | C | -0.3861 | |
| 125 | V | C | 0.0000 | |
| 126 | F | C | 0.0000 | |
| 127 | P | C | -1.1429 | |
| 128 | L | C | 0.0000 | |
| 129 | A | C | -1.2001 | |
| 130 | P | C | 0.0000 | |
| 131 | S | C | -0.6021 | |
| 132 | S | C | -0.4189 | |
| 133 | K | C | -0.4179 | |
| 134 | S | C | 0.0000 | |
| 135 | T | C | -0.2381 | |
| 136 | S | C | 0.0000 | |
| 137 | G | C | -0.8014 | |
| 138 | G | C | -0.9495 | |
| 139 | T | C | -0.2512 | |
| 140 | A | C | 0.0000 | |
| 141 | A | C | 0.0000 | |
| 142 | L | C | 0.0000 | |
| 143 | G | C | 0.0000 | |
| 144 | C | C | 0.0000 | |
| 145 | L | C | 0.0000 | |
| 146 | V | C | 0.0000 | |
| 147 | K | C | 0.0000 | |
| 148 | D | C | -0.3565 | |
| 149 | Y | C | 0.0000 | |
| 150 | F | C | 0.0000 | |
| 151 | P | C | 0.0000 | |
| 152 | E | C | -0.5309 | |
| 153 | P | C | -0.7751 | |
| 154 | V | C | -0.6545 | |
| 155 | T | C | -0.6259 | |
| 156 | V | C | -0.2400 | |
| 157 | S | C | -0.4117 | |
| 158 | W | C | 0.0000 | |
| 159 | N | C | -0.6889 | |
| 160 | S | C | -0.6385 | |
| 161 | G | C | -0.4404 | |
| 162 | A | C | -0.2017 | |
| 163 | L | C | 0.0427 | |
| 164 | T | C | -0.1478 | |
| 165 | S | C | -0.1741 | |
| 166 | G | C | -0.1930 | |
| 167 | V | C | 0.1722 | |
| 168 | H | C | -0.1716 | |
| 169 | T | C | -0.0920 | |
| 170 | F | C | 0.0000 | |
| 171 | P | C | -0.2779 | |
| 172 | A | C | 0.2600 | |
| 173 | V | C | 0.5885 | |
| 174 | L | C | 1.2867 | |
| 175 | Q | C | 0.3559 | |
| 176 | S | C | -0.4887 | |
| 177 | S | C | -0.1998 | |
| 178 | G | C | 0.0398 | |
| 179 | L | C | 0.1631 | |
| 180 | Y | C | 0.5146 | |
| 181 | S | C | 0.0000 | |
| 182 | L | C | 0.0000 | |
| 183 | S | C | 0.0000 | |
| 184 | S | C | 0.0000 | |
| 185 | V | C | 0.0000 | |
| 186 | V | C | 0.0000 | |
| 187 | T | C | -0.1143 | |
| 188 | V | C | 0.0000 | |
| 189 | P | C | -0.5182 | |
| 190 | S | C | -0.4253 | |
| 191 | S | C | -0.5470 | |
| 192 | S | C | -0.5904 | |
| 193 | L | C | -0.7843 | |
| 194 | G | C | -0.9527 | |
| 195 | T | C | -0.6784 | |
| 196 | Q | C | -1.1430 | |
| 197 | T | C | -1.0156 | |
| 198 | Y | C | 0.0000 | |
| 199 | I | C | -1.0955 | |
| 200 | C | C | 0.0000 | |
| 201 | N | C | -1.5247 | |
| 202 | V | C | 0.0000 | |
| 203 | N | C | -2.0733 | |
| 204 | H | C | 0.0000 | |
| 205 | K | C | -2.9185 | |
| 206 | P | C | -1.8146 | |
| 207 | S | C | -1.9315 | |
| 208 | N | C | -2.6199 | |
| 209 | T | C | -2.1109 | |
| 210 | K | C | -2.7716 | |
| 211 | V | C | -1.6283 | |
| 212 | D | C | -2.4922 | |
| 213 | K | C | -2.0089 | |
| 214 | K | C | -2.1937 | |
| 215 | V | C | 0.0000 | |
| 216 | E | C | -2.6882 | |
| 217 | P | C | -1.6331 | |
| 218 | K | C | -2.0670 | |
| 219 | S | C | -1.6015 | |
| 220 | C | C | -1.0107 | |
| 221 | D | C | -2.2895 | |
| 222 | K | C | -2.4529 | |
| 223 | T | C | -1.6485 | |
| 224 | H | C | -1.8988 | |
| 225 | T | C | -0.9220 | |
| 226 | C | C | 0.0747 | |
| 227 | P | C | -0.3796 | |
| 228 | P | C | -0.1723 | |
| 229 | C | C | 0.2822 | |
| 230 | P | C | -0.1864 | |
| 231 | A | C | -0.5542 | |
| 232 | P | C | -0.8508 | |
| 233 | E | C | -1.6514 | |
| 234 | L | C | -0.3173 | |
| 235 | L | C | -0.1311 | |
| 236 | G | C | -0.5892 | |
| 237 | G | C | -0.5351 | |
| 238 | P | C | 0.0000 | |
| 239 | S | C | 0.1784 | |
| 240 | V | C | 0.0000 | |
| 241 | F | C | 0.3180 | |
| 242 | L | C | 0.0000 | |
| 243 | F | C | -0.0509 | |
| 244 | P | C | -0.6291 | |
| 245 | P | C | 0.0000 | |
| 246 | K | C | -2.6194 | |
| 247 | P | C | -1.6988 | |
| 248 | K | C | -1.7322 | |
| 249 | D | C | -1.9077 | |
| 250 | T | C | 0.0000 | |
| 251 | L | C | 0.0000 | |
| 252 | M | C | -0.1472 | |
| 253 | I | C | 1.0205 | |
| 254 | S | C | -0.1844 | |
| 255 | R | C | -1.8747 | |
| 256 | T | C | -1.0692 | |
| 257 | P | C | 0.0000 | |
| 258 | E | C | -1.3452 | |
| 259 | V | C | 0.0000 | |
| 260 | T | C | -0.3301 | |
| 261 | C | C | 0.0000 | |
| 262 | V | C | 0.0000 | |
| 263 | V | C | 0.0000 | |
| 264 | V | C | 0.0000 | |
| 265 | D | C | 0.0000 | |
| 266 | V | C | 0.0000 | |
| 267 | S | C | -1.7142 | |
| 268 | H | C | -2.0059 | |
| 269 | E | C | -2.6928 | |
| 270 | D | C | -2.2432 | |
| 271 | P | C | -2.2147 | |
| 272 | E | C | -2.9288 | |
| 273 | V | C | -1.9086 | |
| 274 | K | C | -2.2599 | |
| 275 | F | C | -1.3217 | |
| 276 | N | C | -1.0451 | |
| 277 | W | C | 0.0000 | |
| 278 | Y | C | -0.4732 | |
| 279 | V | C | -0.6764 | |
| 280 | D | C | -1.9089 | |
| 281 | G | C | -0.7674 | |
| 282 | V | C | 0.6405 | |
| 283 | E | C | -0.6669 | |
| 284 | V | C | -0.5775 | |
| 285 | H | C | -1.8861 | |
| 286 | N | C | -2.1828 | |
| 287 | A | C | -1.8525 | |
| 288 | K | C | -2.3499 | |
| 289 | T | C | -1.7238 | |
| 290 | K | C | -1.6430 | |
| 291 | P | C | -1.6712 | |
| 292 | R | C | -2.3074 | |
| 293 | E | C | -2.0251 | |
| 294 | E | C | -2.2910 | |
| 295 | Q | C | 0.0000 | |
| 296 | Y | C | -0.1479 | |
| 297 | N | C | 0.0000 | |
| 298 | S | C | -0.6859 | |
| 299 | T | C | 0.0000 | |
| 300 | Y | C | -1.4186 | |
| 301 | R | C | 0.0000 | |
| 302 | V | C | 0.0000 | |
| 303 | V | C | 0.0000 | |
| 304 | S | C | 0.0000 | |
| 305 | V | C | 0.0000 | |
| 306 | L | C | 0.0000 | |
| 307 | T | C | -0.6573 | |
| 308 | V | C | 0.0000 | |
| 309 | L | C | 0.7326 | |
| 310 | H | C | -0.1759 | |
| 311 | Q | C | -0.8952 | |
| 312 | D | C | -1.1659 | |
| 313 | W | C | 0.0000 | |
| 314 | L | C | -1.0932 | |
| 315 | N | C | -1.9386 | |
| 316 | G | C | -1.8709 | |
| 317 | K | C | -1.9597 | |
| 318 | E | C | -1.5274 | |
| 319 | Y | C | 0.0000 | |
| 320 | K | C | -1.1105 | |
| 321 | C | C | 0.0000 | |
| 322 | K | C | -1.1348 | |
| 323 | V | C | 0.0000 | |
| 324 | S | C | -1.4000 | |
| 325 | N | C | 0.0000 | |
| 326 | K | C | -2.5122 | |
| 327 | A | C | -1.6344 | |
| 328 | L | C | -0.6760 | |
| 329 | P | C | -0.6209 | |
| 330 | A | C | -0.3498 | |
| 331 | P | C | -0.7494 | |
| 332 | I | C | -0.2496 | |
| 333 | E | C | -1.3880 | |
| 334 | K | C | -1.1782 | |
| 335 | T | C | 0.0000 | |
| 336 | I | C | -0.3374 | |
| 337 | S | C | -1.0380 | |
| 338 | K | C | 0.0000 | |
| 339 | A | C | -1.4598 | |
| 340 | K | C | -2.5354 | |
| 341 | G | C | -2.0760 | |
| 342 | Q | C | -2.1675 | |
| 343 | P | C | -1.7580 | |
| 344 | R | C | -2.0393 | |
| 345 | E | C | -2.6206 | |
| 346 | P | C | 0.0000 | |
| 347 | Q | C | -1.3013 | |
| 348 | V | C | 0.0000 | |
| 349 | Y | C | 0.0000 | |
| 350 | T | C | -0.7914 | |
| 351 | L | C | 0.0000 | |
| 352 | P | C | -0.4114 | |
| 353 | P | C | -0.8820 | |
| 354 | S | C | 0.0000 | |
| 355 | R | C | -2.6898 | |
| 356 | D | C | -2.8016 | |
| 357 | E | C | 0.0000 | |
| 358 | L | C | -1.8335 | |
| 359 | T | C | -1.4909 | |
| 360 | K | C | -1.8759 | |
| 361 | N | C | -2.3022 | |
| 362 | Q | C | -2.0739 | |
| 363 | V | C | 0.0000 | |
| 364 | S | C | 0.0000 | |
| 365 | L | C | 0.0000 | |
| 366 | T | C | 0.0000 | |
| 367 | C | C | 0.0000 | |
| 368 | L | C | 0.0000 | |
| 369 | V | C | 0.0000 | |
| 370 | K | C | -0.6560 | |
| 371 | G | C | -1.1960 | |
| 372 | F | C | 0.0000 | |
| 373 | Y | C | -1.4443 | |
| 374 | P | C | 0.0000 | |
| 375 | S | C | -0.6628 | |
| 376 | D | C | -1.5193 | |
| 377 | I | C | -0.8383 | |
| 378 | A | C | -0.7608 | |
| 379 | V | C | 0.0000 | |
| 380 | E | C | -1.0483 | |
| 381 | W | C | 0.0000 | |
| 382 | E | C | -1.7679 | |
| 383 | S | C | 0.0000 | |
| 384 | N | C | -1.8849 | |
| 385 | G | C | -1.7786 | |
| 386 | Q | C | -2.2889 | |
| 387 | P | C | -1.9247 | |
| 388 | E | C | -1.8128 | |
| 389 | N | C | -2.0440 | |
| 390 | N | C | -1.4157 | |
| 391 | Y | C | -0.9537 | |
| 392 | K | C | -0.8836 | |
| 393 | T | C | -0.4012 | |
| 394 | T | C | 0.0000 | |
| 395 | P | C | -0.1783 | |
| 396 | P | C | -0.1790 | |
| 397 | V | C | 0.0897 | |
| 398 | L | C | -0.0414 | |
| 399 | D | C | -0.8640 | |
| 400 | S | C | -1.3290 | |
| 401 | D | C | -2.0727 | |
| 402 | G | C | -1.2956 | |
| 403 | S | C | 0.0000 | |
| 404 | F | C | 0.0000 | |
| 405 | F | C | 0.0000 | |
| 406 | L | C | 0.0000 | |
| 407 | Y | C | 0.0000 | |
| 408 | S | C | 0.0000 | |
| 409 | K | C | 0.0000 | |
| 410 | L | C | 0.0000 | |
| 411 | T | C | -0.8432 | |
| 412 | V | C | 0.0000 | |
| 413 | D | C | -2.3903 | |
| 414 | K | C | -2.5725 | |
| 415 | S | C | -2.2054 | |
| 416 | R | C | -2.0272 | |
| 417 | W | C | 0.0000 | |
| 418 | Q | C | -2.2850 | |
| 419 | Q | C | -2.1118 | |
| 420 | G | C | -1.2341 | |
| 421 | N | C | -0.8807 | |
| 422 | V | C | 0.0503 | |
| 423 | F | C | 0.0000 | |
| 424 | S | C | 0.0000 | |
| 425 | C | C | 0.0000 | |
| 426 | S | C | 0.0000 | |
| 427 | V | C | 0.0000 | |
| 428 | M | C | 0.0000 | |
| 429 | H | C | 0.0000 | |
| 430 | E | C | -1.2121 | |
| 431 | A | C | -1.5841 | |
| 432 | L | C | 0.0000 | |
| 433 | H | C | -1.8353 | |
| 434 | N | C | -1.4323 | |
| 435 | H | C | -0.9852 | |
| 436 | Y | C | -0.5867 | |
| 437 | T | C | 0.0000 | |
| 438 | Q | C | -1.0601 | |
| 439 | K | C | -1.0031 | |
| 440 | S | C | -0.5135 | |
| 441 | L | C | 0.0000 | |
| 442 | S | C | -0.2159 | |
| 443 | L | C | -0.4091 | |
| 444 | S | C | -0.7242 | |
| 445 | P | C | -1.0703 | |
| 446 | G | C | -1.7607 | |
| 447 | K | C | -2.5850 | |
| 1 | E | D | -2.1091 | |
| 2 | V | D | -1.4645 | |
| 3 | Q | D | -1.7709 | |
| 4 | L | D | 0.0000 | |
| 5 | Q | D | -1.7946 | |
| 6 | Q | D | 0.0000 | |
| 7 | S | D | -0.9990 | |
| 8 | G | D | -1.2661 | |
| 9 | A | D | -0.9927 | |
| 10 | E | D | -1.3077 | |
| 11 | L | D | -0.5976 | |
| 12 | V | D | -0.9128 | |
| 13 | K | D | -1.8996 | |
| 14 | P | D | -1.2922 | |
| 15 | G | D | -1.0979 | |
| 16 | A | D | -0.8785 | |
| 17 | S | D | -1.0899 | |
| 18 | V | D | 0.0000 | |
| 19 | K | D | -1.9780 | |
| 20 | M | D | 0.0000 | |
| 21 | S | D | -0.6764 | |
| 22 | C | D | 0.0000 | |
| 23 | T | D | -0.8015 | |
| 24 | A | D | 0.0000 | |
| 25 | S | D | -1.4125 | |
| 26 | G | D | -1.4685 | |
| 27 | F | D | -1.4612 | |
| 28 | N | D | -2.1465 | |
| 29 | I | D | 0.0000 | |
| 30 | K | D | -2.4796 | |
| 31 | D | D | -2.2621 | |
| 32 | T | D | 0.0000 | |
| 33 | Y | D | 0.5717 | |
| 34 | I | D | 0.0000 | |
| 35 | H | D | 0.0000 | |
| 36 | W | D | 0.0000 | |
| 37 | V | D | 0.0000 | |
| 38 | K | D | 0.0000 | |
| 39 | Q | D | -0.9579 | |
| 40 | R | D | -1.6997 | |
| 41 | P | D | -1.6565 | |
| 42 | E | D | -2.6961 | |
| 43 | Q | D | -2.5231 | |
| 44 | G | D | -1.6643 | |
| 45 | L | D | 0.0000 | |
| 46 | E | D | -1.0793 | |
| 47 | W | D | 0.0000 | |
| 48 | I | D | 0.0000 | |
| 49 | G | D | 0.0000 | |
| 50 | R | D | -0.1008 | |
| 51 | I | D | 0.0000 | |
| 52 | D | D | -0.5180 | |
| 53 | P | D | 0.0000 | |
| 54 | A | D | -1.2836 | |
| 55 | N | D | -1.0559 | |
| 56 | G | D | -0.3736 | |
| 57 | I | D | 1.2129 | |
| 58 | T | D | 0.3654 | |
| 59 | K | D | -0.4912 | |
| 60 | Y | D | -1.1299 | |
| 61 | D | D | -1.5707 | |
| 62 | P | D | -1.8458 | |
| 63 | K | D | -2.3278 | |
| 64 | F | D | 0.0000 | |
| 65 | Q | D | -2.1497 | |
| 66 | G | D | -1.5409 | |
| 67 | R | D | -1.5304 | |
| 68 | A | D | 0.0000 | |
| 69 | T | D | -0.9048 | |
| 70 | I | D | 0.0000 | |
| 71 | T | D | -0.1204 | |
| 72 | A | D | -0.5775 | |
| 73 | D | D | -1.0466 | |
| 74 | T | D | -1.0819 | |
| 75 | S | D | -0.7544 | |
| 76 | S | D | -0.7642 | |
| 77 | N | D | -1.0260 | |
| 78 | T | D | 0.0000 | |
| 79 | V | D | 0.0000 | |
| 80 | Y | D | -0.4761 | |
| 81 | L | D | 0.0000 | |
| 82 | Q | D | -1.4070 | |
| 83 | L | D | 0.0000 | |
| 84 | S | D | -0.9729 | |
| 85 | S | D | -0.8690 | |
| 86 | L | D | 0.0000 | |
| 87 | T | D | -1.2217 | |
| 88 | S | D | -1.3964 | |
| 89 | E | D | -1.9846 | |
| 90 | D | D | 0.0000 | |
| 91 | T | D | -0.7687 | |
| 92 | T | D | 0.0000 | |
| 93 | V | D | 0.0177 | |
| 94 | Y | D | 0.0000 | |
| 95 | Y | D | 0.0000 | |
| 96 | C | D | 0.0000 | |
| 97 | V | D | 0.0000 | |
| 98 | R | D | 0.4602 | |
| 99 | S | D | 0.0000 | |
| 100 | L | D | 1.7521 | |
| 101 | V | D | 2.1423 | |
| 102 | E | D | 0.7567 | |
| 103 | D | D | 0.4247 | |
| 104 | F | D | 0.0000 | |
| 105 | D | D | -0.1155 | |
| 106 | Y | D | 0.0300 | |
| 107 | W | D | -0.6632 | |
| 108 | G | D | 0.0000 | |
| 109 | Q | D | -1.7733 | |
| 110 | G | D | -0.9736 | |
| 111 | T | D | 0.0000 | |
| 112 | T | D | -0.4182 | |
| 113 | L | D | 0.0000 | |
| 114 | T | D | 0.0000 | |
| 115 | V | D | 0.0000 | |
| 116 | S | D | -0.7964 | |
| 117 | S | D | -0.8257 | |
| 118 | A | D | -0.5402 | |
| 119 | S | D | -0.6561 | |
| 120 | T | D | -0.8725 | |
| 121 | K | D | -1.3294 | |
| 122 | G | D | -1.3672 | |
| 123 | P | D | 0.0000 | |
| 124 | S | D | -0.3995 | |
| 125 | V | D | 0.0000 | |
| 126 | F | D | 0.0000 | |
| 127 | P | D | -1.2650 | |
| 128 | L | D | 0.0000 | |
| 129 | A | D | -1.3703 | |
| 130 | P | D | 0.0000 | |
| 131 | S | D | -0.8271 | |
| 132 | S | D | -0.5893 | |
| 133 | K | D | -0.5949 | |
| 134 | S | D | 0.0000 | |
| 135 | T | D | -0.3005 | |
| 136 | S | D | 0.0000 | |
| 137 | G | D | -0.7769 | |
| 138 | G | D | -0.9090 | |
| 139 | T | D | -0.3042 | |
| 140 | A | D | 0.0000 | |
| 141 | A | D | 0.0000 | |
| 142 | L | D | 0.0000 | |
| 143 | G | D | 0.0000 | |
| 144 | C | D | 0.0000 | |
| 145 | L | D | 0.0000 | |
| 146 | V | D | 0.0000 | |
| 147 | K | D | 0.0000 | |
| 148 | D | D | -0.3941 | |
| 149 | Y | D | 0.0000 | |
| 150 | F | D | 0.0000 | |
| 151 | P | D | 0.0000 | |
| 152 | E | D | -0.5363 | |
| 153 | P | D | -0.7516 | |
| 154 | V | D | 0.0000 | |
| 155 | T | D | -0.5490 | |
| 156 | V | D | -0.3173 | |
| 157 | S | D | -0.3412 | |
| 158 | W | D | 0.0000 | |
| 159 | N | D | -0.7146 | |
| 160 | S | D | -0.6237 | |
| 161 | G | D | -0.4877 | |
| 162 | A | D | -0.2286 | |
| 163 | L | D | 0.0183 | |
| 164 | T | D | -0.1635 | |
| 165 | S | D | -0.1761 | |
| 166 | G | D | -0.2136 | |
| 167 | V | D | 0.1724 | |
| 168 | H | D | -0.2168 | |
| 169 | T | D | -0.0976 | |
| 170 | F | D | 0.0000 | |
| 171 | P | D | -0.2320 | |
| 172 | A | D | 0.2938 | |
| 173 | V | D | 0.6026 | |
| 174 | L | D | 1.2580 | |
| 175 | Q | D | 0.3287 | |
| 176 | S | D | -0.4844 | |
| 177 | S | D | -0.2083 | |
| 178 | G | D | 0.0327 | |
| 179 | L | D | 0.1433 | |
| 180 | Y | D | 0.4774 | |
| 181 | S | D | 0.0000 | |
| 182 | L | D | 0.0000 | |
| 183 | S | D | 0.0000 | |
| 184 | S | D | 0.0000 | |
| 185 | V | D | 0.0000 | |
| 186 | V | D | 0.0000 | |
| 187 | T | D | -0.0678 | |
| 188 | V | D | 0.0000 | |
| 189 | P | D | -0.5187 | |
| 190 | S | D | -0.4281 | |
| 191 | S | D | -0.5509 | |
| 192 | S | D | -0.5918 | |
| 193 | L | D | -0.7869 | |
| 194 | G | D | -0.9536 | |
| 195 | T | D | -0.6763 | |
| 196 | Q | D | -1.1417 | |
| 197 | T | D | -1.0870 | |
| 198 | Y | D | 0.0000 | |
| 199 | I | D | -1.2009 | |
| 200 | C | D | 0.0000 | |
| 201 | N | D | -1.3655 | |
| 202 | V | D | 0.0000 | |
| 203 | N | D | -1.7714 | |
| 204 | H | D | 0.0000 | |
| 205 | K | D | -2.5629 | |
| 206 | P | D | -1.6701 | |
| 207 | S | D | -1.8021 | |
| 208 | N | D | -2.4459 | |
| 209 | T | D | -1.9878 | |
| 210 | K | D | -2.5642 | |
| 211 | V | D | -1.4786 | |
| 212 | D | D | -2.2744 | |
| 213 | K | D | -2.0332 | |
| 214 | K | D | -2.4494 | |
| 215 | V | D | 0.0000 | |
| 216 | E | D | -2.8846 | |
| 217 | P | D | -1.8617 | |
| 218 | K | D | -2.5803 | |
| 219 | S | D | -1.9663 | |
| 220 | C | D | -1.6101 | |
| 221 | D | D | -2.7119 | |
| 222 | K | D | -2.6327 | |
| 223 | T | D | -1.7503 | |
| 224 | H | D | -2.1357 | |
| 225 | T | D | -1.0132 | |
| 226 | C | D | -0.1006 | |
| 227 | P | D | -0.2566 | |
| 228 | P | D | -0.1493 | |
| 229 | C | D | 0.4806 | |
| 230 | P | D | -0.1846 | |
| 231 | A | D | -0.5721 | |
| 232 | P | D | -0.8643 | |
| 233 | E | D | -1.7260 | |
| 234 | L | D | -0.4519 | |
| 235 | L | D | -0.1319 | |
| 236 | G | D | -0.5727 | |
| 237 | G | D | -0.6682 | |
| 238 | P | D | 0.0000 | |
| 239 | S | D | 0.1228 | |
| 240 | V | D | 0.0000 | |
| 241 | F | D | 0.1054 | |
| 242 | L | D | -0.0905 | |
| 243 | F | D | 0.0023 | |
| 244 | P | D | -0.5838 | |
| 245 | P | D | 0.0000 | |
| 246 | K | D | -2.4190 | |
| 247 | P | D | -1.5088 | |
| 248 | K | D | -1.4507 | |
| 249 | D | D | -1.4082 | |
| 250 | T | D | 0.0000 | |
| 251 | L | D | 0.0000 | |
| 252 | M | D | 0.1225 | |
| 253 | I | D | 1.1989 | |
| 254 | S | D | 0.1305 | |
| 255 | R | D | -1.1991 | |
| 256 | T | D | -0.7452 | |
| 257 | P | D | 0.0000 | |
| 258 | E | D | -1.2964 | |
| 259 | V | D | 0.0000 | |
| 260 | T | D | -0.3008 | |
| 261 | C | D | 0.0000 | |
| 262 | V | D | 0.0000 | |
| 263 | V | D | 0.0000 | |
| 264 | V | D | 0.0000 | |
| 265 | D | D | 0.0000 | |
| 266 | V | D | 0.0000 | |
| 267 | S | D | -2.0432 | |
| 268 | H | D | -2.5674 | |
| 269 | E | D | -2.9928 | |
| 270 | D | D | -2.5874 | |
| 271 | P | D | -2.5436 | |
| 272 | E | D | -3.0937 | |
| 273 | V | D | -1.9692 | |
| 274 | K | D | -2.2480 | |
| 275 | F | D | -1.3786 | |
| 276 | N | D | -1.1110 | |
| 277 | W | D | 0.0000 | |
| 278 | Y | D | -0.3855 | |
| 279 | V | D | -0.5877 | |
| 280 | D | D | -1.7659 | |
| 281 | G | D | -0.6699 | |
| 282 | V | D | 0.7801 | |
| 283 | E | D | -0.4332 | |
| 284 | V | D | -0.4903 | |
| 285 | H | D | -1.8445 | |
| 286 | N | D | -2.1607 | |
| 287 | A | D | -1.8672 | |
| 288 | K | D | -2.3669 | |
| 289 | T | D | -1.8030 | |
| 290 | K | D | -1.9009 | |
| 291 | P | D | -2.0532 | |
| 292 | R | D | -3.0323 | |
| 293 | E | D | -2.9711 | |
| 294 | E | D | -2.8242 | |
| 295 | Q | D | -1.1886 | |
| 296 | Y | D | 0.1032 | |
| 297 | N | D | 0.0000 | |
| 298 | S | D | -0.8418 | |
| 299 | T | D | 0.0000 | |
| 300 | Y | D | 0.0000 | |
| 301 | R | D | 0.0000 | |
| 302 | V | D | 0.0000 | |
| 303 | V | D | 0.0000 | |
| 304 | S | D | 0.0000 | |
| 305 | V | D | 0.0000 | |
| 306 | L | D | 0.0000 | |
| 307 | T | D | -0.7173 | |
| 308 | V | D | 0.0000 | |
| 309 | L | D | 0.4093 | |
| 310 | H | D | -0.3409 | |
| 311 | Q | D | -1.2548 | |
| 312 | D | D | -1.4266 | |
| 313 | W | D | 0.0000 | |
| 314 | L | D | -1.2115 | |
| 315 | N | D | -2.1027 | |
| 316 | G | D | 0.0000 | |
| 317 | K | D | -2.0217 | |
| 318 | E | D | -1.5924 | |
| 319 | Y | D | 0.0000 | |
| 320 | K | D | -1.3198 | |
| 321 | C | D | 0.0000 | |
| 322 | K | D | -1.4249 | |
| 323 | V | D | 0.0000 | |
| 324 | S | D | -1.5045 | |
| 325 | N | D | 0.0000 | |
| 326 | K | D | -2.6125 | |
| 327 | A | D | -1.7996 | |
| 328 | L | D | 0.0000 | |
| 329 | P | D | -0.7225 | |
| 330 | A | D | -0.4885 | |
| 331 | P | D | -0.9723 | |
| 332 | I | D | -0.6586 | |
| 333 | E | D | -2.3146 | |
| 334 | K | D | -1.8956 | |
| 335 | T | D | -1.6345 | |
| 336 | I | D | -0.4952 | |
| 337 | S | D | -1.0326 | |
| 338 | K | D | 0.0000 | |
| 339 | A | D | -1.4582 | |
| 340 | K | D | -2.5538 | |
| 341 | G | D | -2.2724 | |
| 342 | Q | D | -2.0353 | |
| 343 | P | D | -1.7831 | |
| 344 | R | D | -2.0085 | |
| 345 | E | D | -2.3416 | |
| 346 | P | D | 0.0000 | |
| 347 | Q | D | -1.0299 | |
| 348 | V | D | 0.0000 | |
| 349 | Y | D | 0.0000 | |
| 350 | T | D | -0.7913 | |
| 351 | L | D | 0.0000 | |
| 352 | P | D | -0.4164 | |
| 353 | P | D | -0.8802 | |
| 354 | S | D | 0.0000 | |
| 355 | R | D | -2.6788 | |
| 356 | D | D | -2.8389 | |
| 357 | E | D | 0.0000 | |
| 358 | L | D | -1.9402 | |
| 359 | T | D | -1.6557 | |
| 360 | K | D | -2.2516 | |
| 361 | N | D | -2.4985 | |
| 362 | Q | D | -2.2261 | |
| 363 | V | D | 0.0000 | |
| 364 | S | D | 0.0000 | |
| 365 | L | D | 0.0000 | |
| 366 | T | D | 0.0000 | |
| 367 | C | D | 0.0000 | |
| 368 | L | D | 0.0000 | |
| 369 | V | D | 0.0000 | |
| 370 | K | D | -0.5479 | |
| 371 | G | D | -1.1000 | |
| 372 | F | D | 0.0000 | |
| 373 | Y | D | -1.3675 | |
| 374 | P | D | 0.0000 | |
| 375 | S | D | -0.5052 | |
| 376 | D | D | -1.2669 | |
| 377 | I | D | -0.7080 | |
| 378 | A | D | -0.6733 | |
| 379 | V | D | 0.0000 | |
| 380 | E | D | -1.1642 | |
| 381 | W | D | 0.0000 | |
| 382 | E | D | -1.8335 | |
| 383 | S | D | 0.0000 | |
| 384 | N | D | -1.8924 | |
| 385 | G | D | -1.7856 | |
| 386 | Q | D | -2.2734 | |
| 387 | P | D | -1.8713 | |
| 388 | E | D | 0.0000 | |
| 389 | N | D | -1.9541 | |
| 390 | N | D | -1.3082 | |
| 391 | Y | D | -0.8989 | |
| 392 | K | D | -0.8795 | |
| 393 | T | D | -0.3835 | |
| 394 | T | D | 0.0000 | |
| 395 | P | D | -0.1448 | |
| 396 | P | D | -0.0840 | |
| 397 | V | D | 0.2068 | |
| 398 | L | D | 0.2407 | |
| 399 | D | D | -0.8044 | |
| 400 | S | D | -1.2737 | |
| 401 | D | D | -2.0154 | |
| 402 | G | D | -1.1899 | |
| 403 | S | D | 0.0000 | |
| 404 | F | D | 0.0000 | |
| 405 | F | D | 0.0000 | |
| 406 | L | D | 0.0000 | |
| 407 | Y | D | 0.0000 | |
| 408 | S | D | 0.0000 | |
| 409 | K | D | 0.0000 | |
| 410 | L | D | 0.0000 | |
| 411 | T | D | -0.8229 | |
| 412 | V | D | 0.0000 | |
| 413 | D | D | -2.4959 | |
| 414 | K | D | -2.6959 | |
| 415 | S | D | -2.2604 | |
| 416 | R | D | -2.0761 | |
| 417 | W | D | 0.0000 | |
| 418 | Q | D | -2.4296 | |
| 419 | Q | D | -2.1807 | |
| 420 | G | D | -1.2859 | |
| 421 | N | D | -0.9154 | |
| 422 | V | D | -0.0254 | |
| 423 | F | D | 0.0000 | |
| 424 | S | D | 0.0000 | |
| 425 | C | D | 0.0000 | |
| 426 | S | D | 0.0000 | |
| 427 | V | D | 0.0000 | |
| 428 | M | D | 0.0000 | |
| 429 | H | D | 0.0000 | |
| 430 | E | D | -1.1540 | |
| 431 | A | D | -1.5492 | |
| 432 | L | D | 0.0000 | |
| 433 | H | D | -1.8203 | |
| 434 | N | D | -1.4210 | |
| 435 | H | D | -0.9570 | |
| 436 | Y | D | -0.6541 | |
| 437 | T | D | -0.8652 | |
| 438 | Q | D | -1.3609 | |
| 439 | K | D | -1.1944 | |
| 440 | S | D | -0.5407 | |
| 441 | L | D | 0.0000 | |
| 442 | S | D | -0.2498 | |
| 443 | L | D | -0.4540 | |
| 444 | S | D | -0.6619 | |
| 445 | P | D | -1.0961 | |
| 446 | G | D | -1.7796 | |
| 447 | K | D | -2.5814 |
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 | -0.6395 | 4.1009 | View | CSV | PDB |
| 4.5 | -0.6904 | 4.0767 | View | CSV | PDB |
| 5.0 | -0.7504 | 4.0488 | View | CSV | PDB |
| 5.5 | -0.8073 | 4.0214 | View | CSV | PDB |
| 6.0 | -0.8485 | 3.999 | View | CSV | PDB |
| 6.5 | -0.8642 | 3.985 | View | CSV | PDB |
| 7.0 | -0.8542 | 3.9785 | View | CSV | PDB |
| 7.5 | -0.8269 | 3.9822 | View | CSV | PDB |
| 8.0 | -0.7902 | 3.9855 | View | CSV | PDB |
| 8.5 | -0.7468 | 3.9866 | View | CSV | PDB |
| 9.0 | -0.6975 | 3.987 | 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