| Chain sequence(s) |
A: EIVLTQSPGTLSLSPGERATLSCRASQSVRGRYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVFYCQQYGSSPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
C: EVQLLESGGGLVQPGGSLRLSCAASGFTFSSYAMSWVRQAPGKGLEWVSGITGSGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKDPGTTVIMSWFDPWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSNFGTQTYTCNVDHKPSNTKVDKTVERKCCVECPPCPAPPVAGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTFRVVSVLTVVHQDWLNGKEYKCKVSNKGLPAPIEKTISKTKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPMLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK B: EIVLTQSPGTLSLSPGERATLSCRASQSVRGRYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVFYCQQYGSSPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC D: EVQLLESGGGLVQPGGSLRLSCAASGFTFSSYAMSWVRQAPGKGLEWVSGITGSGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKDPGTTVIMSWFDPWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSNFGTQTYTCNVDHKPSNTKVDKTVERKCCVECPPCPAPPVAGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTFRVVSVLTVVHQDWLNGKEYKCKVSNKGLPAPIEKTISKTKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPMLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK 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. (00:00:06)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:24:58)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ac92411bb684e87/tmp/folded.pdb (00:24:58)
[INFO] Main: Simulation completed successfully. (00:45:41)
|
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 | -1.6326 | |
| 2 | I | A | 0.0000 | |
| 3 | V | A | 0.6202 | |
| 4 | L | A | 0.0000 | |
| 5 | T | A | -0.8420 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.9273 | |
| 8 | P | A | -0.5239 | |
| 9 | G | A | -0.8624 | |
| 10 | T | A | -0.4058 | |
| 11 | L | A | -0.2021 | |
| 12 | S | A | -0.5208 | |
| 13 | L | A | -1.0027 | |
| 14 | S | A | -1.4622 | |
| 15 | P | A | -1.6714 | |
| 16 | G | A | -1.8226 | |
| 17 | E | A | -2.5261 | |
| 18 | R | A | -2.9172 | |
| 19 | A | A | 0.0000 | |
| 20 | T | A | -0.6782 | |
| 21 | L | A | 0.0000 | |
| 22 | S | A | -1.0249 | |
| 23 | C | A | 0.0000 | |
| 24 | R | A | -2.4538 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -1.0675 | |
| 27 | Q | A | -1.9957 | |
| 28 | S | A | -2.0092 | |
| 29 | V | A | 0.0000 | |
| 30 | R | A | -2.3348 | |
| 31 | G | A | -1.4716 | |
| 32 | R | A | -1.3085 | |
| 33 | Y | A | -0.1142 | |
| 34 | L | A | 0.0000 | |
| 35 | A | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | Y | A | 0.0000 | |
| 38 | Q | A | 0.0000 | |
| 39 | Q | A | 0.0000 | |
| 40 | K | A | -1.3388 | |
| 41 | P | A | -1.2668 | |
| 42 | G | A | -1.3238 | |
| 43 | Q | A | -1.9432 | |
| 44 | A | A | -1.4763 | |
| 45 | P | A | 0.0000 | |
| 46 | R | A | -2.1255 | |
| 47 | L | A | 0.0000 | |
| 48 | L | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | Y | A | 0.1031 | |
| 51 | G | A | -0.1665 | |
| 52 | A | A | 0.0000 | |
| 53 | S | A | -0.5193 | |
| 54 | S | A | -0.6545 | |
| 55 | R | A | -1.4639 | |
| 56 | A | A | -0.9412 | |
| 57 | T | A | -0.6253 | |
| 58 | G | A | -0.8119 | |
| 59 | I | A | -1.0333 | |
| 60 | P | A | -1.2732 | |
| 61 | D | A | -2.2899 | |
| 62 | R | A | -1.7165 | |
| 63 | F | A | 0.0000 | |
| 64 | S | A | -0.9075 | |
| 65 | G | A | 0.0000 | |
| 66 | S | A | -0.6885 | |
| 67 | G | A | -1.1276 | |
| 68 | S | A | -1.4559 | |
| 69 | G | A | -1.7358 | |
| 70 | T | A | -2.1508 | |
| 71 | D | A | -2.5242 | |
| 72 | F | A | 0.0000 | |
| 73 | T | A | -0.8232 | |
| 74 | L | A | 0.0000 | |
| 75 | T | A | -0.7222 | |
| 76 | I | A | 0.0000 | |
| 77 | S | A | -1.9903 | |
| 78 | R | A | -2.6593 | |
| 79 | L | A | 0.0000 | |
| 80 | E | A | -1.9568 | |
| 81 | P | A | -1.3895 | |
| 82 | E | A | -2.1136 | |
| 83 | D | A | 0.0000 | |
| 84 | F | A | -0.4965 | |
| 85 | A | A | 0.0000 | |
| 86 | V | A | -0.1400 | |
| 87 | F | A | 0.0000 | |
| 88 | Y | A | 0.0000 | |
| 89 | C | A | 0.0000 | |
| 90 | Q | A | 0.0000 | |
| 91 | Q | A | 0.0000 | |
| 92 | Y | A | 0.0000 | |
| 93 | G | A | 0.0000 | |
| 94 | S | A | -0.8684 | |
| 95 | S | A | -0.5413 | |
| 96 | P | A | -0.8384 | |
| 97 | R | A | 0.0000 | |
| 98 | T | A | -0.1928 | |
| 99 | F | A | 0.0336 | |
| 100 | G | A | 0.0000 | |
| 101 | Q | A | -1.4850 | |
| 102 | G | A | 0.0000 | |
| 103 | T | A | 0.0000 | |
| 104 | K | A | -0.6320 | |
| 105 | V | A | 0.0000 | |
| 106 | E | A | 0.0000 | |
| 107 | I | A | -0.7483 | |
| 108 | K | A | -1.5398 | |
| 109 | R | A | -1.1279 | |
| 110 | T | A | -0.1869 | |
| 111 | V | A | 0.2928 | |
| 112 | A | A | -0.0100 | |
| 113 | A | A | -0.0393 | |
| 114 | P | A | 0.0000 | |
| 115 | S | A | -0.0304 | |
| 116 | V | A | 0.0936 | |
| 117 | F | A | 0.1596 | |
| 118 | I | A | 0.0720 | |
| 119 | F | A | 0.0000 | |
| 120 | P | A | 0.0000 | |
| 121 | P | A | 0.0000 | |
| 122 | S | A | 0.0000 | |
| 123 | D | A | -2.8834 | |
| 124 | E | A | -3.0507 | |
| 125 | Q | A | 0.0000 | |
| 126 | L | A | -2.3191 | |
| 127 | K | A | -2.8882 | |
| 128 | S | A | -1.7911 | |
| 129 | G | A | -1.2755 | |
| 130 | T | A | -0.9889 | |
| 131 | A | A | 0.0000 | |
| 132 | S | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | V | A | 0.0000 | |
| 135 | C | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | N | A | 0.0000 | |
| 139 | N | A | -0.7387 | |
| 140 | F | A | 0.0000 | |
| 141 | Y | A | 0.0000 | |
| 142 | P | A | -1.6269 | |
| 143 | R | A | -2.7031 | |
| 144 | E | A | -3.0444 | |
| 145 | A | A | -2.1875 | |
| 146 | K | A | -2.2601 | |
| 147 | V | A | -1.0068 | |
| 148 | Q | A | -0.5732 | |
| 149 | W | A | 0.0000 | |
| 150 | K | A | -0.5136 | |
| 151 | V | A | 0.0000 | |
| 152 | D | A | -1.7056 | |
| 153 | N | A | -1.4253 | |
| 154 | A | A | -0.2331 | |
| 155 | L | A | 0.7043 | |
| 156 | Q | A | -0.2880 | |
| 157 | S | A | -0.6445 | |
| 158 | G | A | -1.2511 | |
| 159 | N | A | -1.5661 | |
| 160 | S | A | -1.3652 | |
| 161 | Q | A | -1.2980 | |
| 162 | E | A | -1.4664 | |
| 163 | S | A | -0.8056 | |
| 164 | V | A | -0.7372 | |
| 165 | T | A | -1.1705 | |
| 166 | E | A | -2.2547 | |
| 167 | Q | A | -1.8225 | |
| 168 | D | A | -1.8925 | |
| 169 | S | A | -1.7062 | |
| 170 | K | A | -2.2232 | |
| 171 | D | A | -1.6485 | |
| 172 | S | A | 0.0000 | |
| 173 | T | A | 0.0000 | |
| 174 | Y | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | S | A | 0.0000 | |
| 178 | S | A | 0.0000 | |
| 179 | T | A | -0.6279 | |
| 180 | L | A | 0.0000 | |
| 181 | T | A | -0.6055 | |
| 182 | L | A | -0.7178 | |
| 183 | S | A | -0.9364 | |
| 184 | K | A | -1.9525 | |
| 185 | A | A | -1.7278 | |
| 186 | D | A | -2.2454 | |
| 187 | Y | A | 0.0000 | |
| 188 | E | A | -3.2042 | |
| 189 | K | A | -3.3734 | |
| 190 | H | A | -2.5871 | |
| 191 | K | A | -2.4431 | |
| 192 | V | A | -1.0688 | |
| 193 | Y | A | 0.0000 | |
| 194 | A | A | 0.0000 | |
| 195 | C | A | 0.0000 | |
| 196 | E | A | -0.6873 | |
| 197 | V | A | 0.0000 | |
| 198 | T | A | -1.1609 | |
| 199 | H | A | 0.0000 | |
| 200 | Q | A | -1.7163 | |
| 201 | G | A | -0.4248 | |
| 202 | L | A | -0.2381 | |
| 203 | S | A | -0.4560 | |
| 204 | S | A | -0.4119 | |
| 205 | P | A | -0.5400 | |
| 206 | V | A | 0.0400 | |
| 207 | T | A | -0.4521 | |
| 208 | K | A | -0.7568 | |
| 209 | S | A | -0.6145 | |
| 210 | F | A | 0.0000 | |
| 211 | N | A | -1.3523 | |
| 212 | R | A | -1.7275 | |
| 213 | G | A | -1.6084 | |
| 214 | E | A | -2.3211 | |
| 215 | C | A | -1.6212 | |
| 1 | E | B | -1.6087 | |
| 2 | I | B | 0.0000 | |
| 3 | V | B | 0.7215 | |
| 4 | L | B | 0.0000 | |
| 5 | T | B | -0.6630 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.8968 | |
| 8 | P | B | -0.6210 | |
| 9 | G | B | -1.0483 | |
| 10 | T | B | -0.6977 | |
| 11 | L | B | -0.4038 | |
| 12 | S | B | -0.6371 | |
| 13 | L | B | -1.0397 | |
| 14 | S | B | -1.6186 | |
| 15 | P | B | -1.9429 | |
| 16 | G | B | -2.2833 | |
| 17 | E | B | -2.8601 | |
| 18 | R | B | -3.2215 | |
| 19 | A | B | 0.0000 | |
| 20 | T | B | -0.6665 | |
| 21 | L | B | 0.0000 | |
| 22 | S | B | -0.9530 | |
| 23 | C | B | 0.0000 | |
| 24 | R | B | -2.0342 | |
| 25 | A | B | 0.0000 | |
| 26 | S | B | -0.9372 | |
| 27 | Q | B | -1.9366 | |
| 28 | S | B | -1.8823 | |
| 29 | V | B | 0.0000 | |
| 30 | R | B | -2.2487 | |
| 31 | G | B | -1.3647 | |
| 32 | R | B | -1.1929 | |
| 33 | Y | B | 0.1891 | |
| 34 | L | B | 0.0000 | |
| 35 | A | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | Y | B | 0.0000 | |
| 38 | Q | B | 0.0000 | |
| 39 | Q | B | 0.0000 | |
| 40 | K | B | -1.6890 | |
| 41 | P | B | -1.4509 | |
| 42 | G | B | -1.4737 | |
| 43 | Q | B | -2.1991 | |
| 44 | A | B | -1.5904 | |
| 45 | P | B | 0.0000 | |
| 46 | R | B | -2.0877 | |
| 47 | L | B | 0.0000 | |
| 48 | L | B | 0.0000 | |
| 49 | I | B | 0.0000 | |
| 50 | Y | B | 0.1733 | |
| 51 | G | B | -0.0471 | |
| 52 | A | B | 0.0000 | |
| 53 | S | B | -0.4812 | |
| 54 | S | B | -0.6346 | |
| 55 | R | B | -1.4759 | |
| 56 | A | B | -0.9445 | |
| 57 | T | B | -0.6385 | |
| 58 | G | B | -0.8197 | |
| 59 | I | B | -1.0459 | |
| 60 | P | B | -1.2807 | |
| 61 | D | B | -2.3621 | |
| 62 | R | B | -1.9024 | |
| 63 | F | B | 0.0000 | |
| 64 | S | B | -0.9028 | |
| 65 | G | B | 0.0000 | |
| 66 | S | B | -0.7425 | |
| 67 | G | B | -1.1936 | |
| 68 | S | B | -1.4731 | |
| 69 | G | B | -1.7358 | |
| 70 | T | B | -2.1561 | |
| 71 | D | B | -2.7097 | |
| 72 | F | B | 0.0000 | |
| 73 | T | B | -0.8253 | |
| 74 | L | B | 0.0000 | |
| 75 | T | B | -0.8118 | |
| 76 | I | B | 0.0000 | |
| 77 | S | B | -2.3742 | |
| 78 | R | B | -3.4803 | |
| 79 | L | B | 0.0000 | |
| 80 | E | B | -2.2694 | |
| 81 | P | B | -1.4640 | |
| 82 | E | B | -2.1923 | |
| 83 | D | B | 0.0000 | |
| 84 | F | B | -0.7068 | |
| 85 | A | B | 0.0000 | |
| 86 | V | B | -0.5958 | |
| 87 | F | B | 0.0000 | |
| 88 | Y | B | 0.0000 | |
| 89 | C | B | 0.0000 | |
| 90 | Q | B | 0.0000 | |
| 91 | Q | B | 0.0000 | |
| 92 | Y | B | 0.0000 | |
| 93 | G | B | 0.0000 | |
| 94 | S | B | -0.7970 | |
| 95 | S | B | -0.5241 | |
| 96 | P | B | -0.8197 | |
| 97 | R | B | 0.0000 | |
| 98 | T | B | 0.0000 | |
| 99 | F | B | 0.0324 | |
| 100 | G | B | 0.0000 | |
| 101 | Q | B | -1.5646 | |
| 102 | G | B | 0.0000 | |
| 103 | T | B | 0.0000 | |
| 104 | K | B | -1.3831 | |
| 105 | V | B | 0.0000 | |
| 106 | E | B | 0.0000 | |
| 107 | I | B | -0.8778 | |
| 108 | K | B | -1.5542 | |
| 109 | R | B | -1.1058 | |
| 110 | T | B | -0.1460 | |
| 111 | V | B | 0.3481 | |
| 112 | A | B | 0.0045 | |
| 113 | A | B | -0.0532 | |
| 114 | P | B | 0.0000 | |
| 115 | S | B | -0.1323 | |
| 116 | V | B | 0.0000 | |
| 117 | F | B | 0.0664 | |
| 118 | I | B | 0.0436 | |
| 119 | F | B | 0.0000 | |
| 120 | P | B | 0.0000 | |
| 121 | P | B | 0.0000 | |
| 122 | S | B | 0.0000 | |
| 123 | D | B | -3.0241 | |
| 124 | E | B | -2.9805 | |
| 125 | Q | B | 0.0000 | |
| 126 | L | B | -2.2858 | |
| 127 | K | B | -2.8696 | |
| 128 | S | B | -1.7850 | |
| 129 | G | B | -1.2853 | |
| 130 | T | B | -0.9770 | |
| 131 | A | B | 0.0000 | |
| 132 | S | B | 0.0000 | |
| 133 | V | B | 0.0000 | |
| 134 | V | B | 0.0000 | |
| 135 | C | B | 0.0000 | |
| 136 | L | B | 0.0000 | |
| 137 | L | B | 0.0000 | |
| 138 | N | B | 0.0000 | |
| 139 | N | B | -0.7949 | |
| 140 | F | B | 0.0000 | |
| 141 | Y | B | 0.0000 | |
| 142 | P | B | -1.6915 | |
| 143 | R | B | -2.8673 | |
| 144 | E | B | -3.1495 | |
| 145 | A | B | -2.3076 | |
| 146 | K | B | -2.4620 | |
| 147 | V | B | -1.1229 | |
| 148 | Q | B | -0.6824 | |
| 149 | W | B | 0.0000 | |
| 150 | K | B | -0.5391 | |
| 151 | V | B | 0.0000 | |
| 152 | D | B | -1.7383 | |
| 153 | N | B | -1.4378 | |
| 154 | A | B | -0.2327 | |
| 155 | L | B | 0.7035 | |
| 156 | Q | B | -0.2662 | |
| 157 | S | B | -0.6378 | |
| 158 | G | B | -1.2440 | |
| 159 | N | B | -1.5379 | |
| 160 | S | B | -1.3570 | |
| 161 | Q | B | -1.2613 | |
| 162 | E | B | -1.3769 | |
| 163 | S | B | -0.7647 | |
| 164 | V | B | -0.7574 | |
| 165 | T | B | -1.2084 | |
| 166 | E | B | -2.3014 | |
| 167 | Q | B | -1.9042 | |
| 168 | D | B | -1.9600 | |
| 169 | S | B | -1.9297 | |
| 170 | K | B | -2.2343 | |
| 171 | D | B | -1.6548 | |
| 172 | S | B | -1.7173 | |
| 173 | T | B | 0.0000 | |
| 174 | Y | B | 0.0000 | |
| 175 | S | B | 0.0000 | |
| 176 | L | B | 0.0000 | |
| 177 | S | B | 0.0000 | |
| 178 | S | B | 0.0000 | |
| 179 | T | B | -0.6106 | |
| 180 | L | B | 0.0000 | |
| 181 | T | B | -0.6013 | |
| 182 | L | B | -0.6880 | |
| 183 | S | B | -0.8950 | |
| 184 | K | B | -1.8886 | |
| 185 | A | B | -1.6544 | |
| 186 | D | B | -2.1438 | |
| 187 | Y | B | 0.0000 | |
| 188 | E | B | -3.1295 | |
| 189 | K | B | -3.3158 | |
| 190 | H | B | -2.6331 | |
| 191 | K | B | -2.4712 | |
| 192 | V | B | -1.1057 | |
| 193 | Y | B | 0.0000 | |
| 194 | A | B | 0.0000 | |
| 195 | C | B | 0.0000 | |
| 196 | E | B | -0.7732 | |
| 197 | V | B | 0.0000 | |
| 198 | T | B | -1.2298 | |
| 199 | H | B | 0.0000 | |
| 200 | Q | B | -1.7374 | |
| 201 | G | B | -0.4100 | |
| 202 | L | B | -0.2325 | |
| 203 | S | B | -0.4566 | |
| 204 | S | B | -0.4107 | |
| 205 | P | B | -0.5673 | |
| 206 | V | B | -0.0068 | |
| 207 | T | B | -0.4890 | |
| 208 | K | B | -0.7721 | |
| 209 | S | B | -0.5746 | |
| 210 | F | B | 0.0000 | |
| 211 | N | B | -1.2264 | |
| 212 | R | B | -1.6980 | |
| 213 | G | B | -1.5696 | |
| 214 | E | B | -1.6703 | |
| 215 | C | B | -1.1394 | |
| 1 | E | C | -2.1195 | |
| 2 | V | C | -1.4416 | |
| 3 | Q | C | -1.4102 | |
| 4 | L | C | 0.0000 | |
| 5 | L | C | 0.9049 | |
| 6 | E | C | 0.0000 | |
| 7 | S | C | -0.3405 | |
| 8 | G | C | -0.8429 | |
| 9 | G | C | -0.3443 | |
| 10 | G | C | -0.1018 | |
| 11 | L | C | 0.1681 | |
| 12 | V | C | -0.5292 | |
| 13 | Q | C | -1.5229 | |
| 14 | P | C | -1.6499 | |
| 15 | G | C | -1.4284 | |
| 16 | G | C | -1.0890 | |
| 17 | S | C | -1.3017 | |
| 18 | L | C | -1.1713 | |
| 19 | R | C | -2.1417 | |
| 20 | L | C | 0.0000 | |
| 21 | S | C | -0.4097 | |
| 22 | C | C | 0.0000 | |
| 23 | A | C | -0.1638 | |
| 24 | A | C | 0.0000 | |
| 25 | S | C | -1.0247 | |
| 26 | G | C | -1.2534 | |
| 27 | F | C | -0.4788 | |
| 28 | T | C | -0.1475 | |
| 29 | F | C | 0.0000 | |
| 30 | S | C | -0.4782 | |
| 31 | S | C | -0.1013 | |
| 32 | Y | C | 0.4126 | |
| 33 | A | C | 0.0000 | |
| 34 | M | C | 0.0000 | |
| 35 | S | C | 0.0000 | |
| 36 | W | C | 0.0000 | |
| 37 | V | C | 0.0000 | |
| 38 | R | C | 0.0000 | |
| 39 | Q | C | -0.7107 | |
| 40 | A | C | -1.1256 | |
| 41 | P | C | -0.9131 | |
| 42 | G | C | -1.4767 | |
| 43 | K | C | -2.3943 | |
| 44 | G | C | -1.5995 | |
| 45 | L | C | 0.0000 | |
| 46 | E | C | -0.9967 | |
| 47 | W | C | 0.0000 | |
| 48 | V | C | 0.0000 | |
| 49 | S | C | 0.0000 | |
| 50 | G | C | 0.0000 | |
| 51 | I | C | 0.0000 | |
| 52 | T | C | 0.0823 | |
| 53 | G | C | 0.0000 | |
| 54 | S | C | -0.6265 | |
| 55 | G | C | -0.7185 | |
| 56 | G | C | -0.7046 | |
| 57 | S | C | -0.3151 | |
| 58 | T | C | 0.1015 | |
| 59 | Y | C | 0.2309 | |
| 60 | Y | C | -0.5742 | |
| 61 | A | C | 0.0000 | |
| 62 | D | C | -2.4194 | |
| 63 | S | C | -1.7715 | |
| 64 | V | C | 0.0000 | |
| 65 | K | C | -2.4968 | |
| 66 | G | C | -1.7188 | |
| 67 | R | C | -1.4612 | |
| 68 | F | C | 0.0000 | |
| 69 | T | C | -0.7578 | |
| 70 | I | C | 0.0000 | |
| 71 | S | C | -0.4681 | |
| 72 | R | C | -1.0526 | |
| 73 | D | C | -1.5754 | |
| 74 | N | C | -1.6904 | |
| 75 | S | C | -1.5825 | |
| 76 | K | C | -2.3752 | |
| 77 | N | C | -1.7382 | |
| 78 | T | C | -1.0099 | |
| 79 | L | C | 0.0000 | |
| 80 | Y | C | -0.5978 | |
| 81 | L | C | 0.0000 | |
| 82 | Q | C | -1.2464 | |
| 83 | M | C | 0.0000 | |
| 84 | N | C | -1.4960 | |
| 85 | S | C | -1.2895 | |
| 86 | L | C | 0.0000 | |
| 87 | R | C | -2.2792 | |
| 88 | A | C | -1.6837 | |
| 89 | E | C | -2.2282 | |
| 90 | D | C | 0.0000 | |
| 91 | T | C | -0.6193 | |
| 92 | A | C | 0.0000 | |
| 93 | V | C | 0.4332 | |
| 94 | Y | C | 0.0000 | |
| 95 | Y | C | 0.0000 | |
| 96 | C | C | 0.0000 | |
| 97 | A | C | 0.0000 | |
| 98 | K | C | 0.0000 | |
| 99 | D | C | 0.0000 | |
| 100 | P | C | 0.1013 | |
| 101 | G | C | 0.5662 | |
| 102 | T | C | 0.4127 | |
| 103 | T | C | 0.7117 | |
| 104 | V | C | 1.8075 | |
| 105 | I | C | 0.0000 | |
| 106 | M | C | 0.8706 | |
| 107 | S | C | 0.0000 | |
| 108 | W | C | 0.1579 | |
| 109 | F | C | 0.0000 | |
| 110 | D | C | -1.3495 | |
| 111 | P | C | -1.2783 | |
| 112 | W | C | 0.0000 | |
| 113 | G | C | 0.0000 | |
| 114 | Q | C | -1.1833 | |
| 115 | G | C | 0.0000 | |
| 116 | T | C | 0.2019 | |
| 117 | L | C | 0.5065 | |
| 118 | V | C | 0.0000 | |
| 119 | T | C | 0.0000 | |
| 120 | V | C | 0.0000 | |
| 121 | S | C | -0.9289 | |
| 122 | S | C | -0.7022 | |
| 123 | A | C | -0.5118 | |
| 124 | S | C | -0.6144 | |
| 125 | T | C | -0.6720 | |
| 126 | K | C | -1.3339 | |
| 127 | G | C | -1.4488 | |
| 128 | P | C | 0.0000 | |
| 129 | S | C | -0.4118 | |
| 130 | V | C | 0.0000 | |
| 131 | F | C | 0.0000 | |
| 132 | P | C | -0.9155 | |
| 133 | L | C | 0.0000 | |
| 134 | A | C | 0.0000 | |
| 135 | P | C | -0.5958 | |
| 136 | C | C | 0.0000 | |
| 137 | S | C | -1.5832 | |
| 138 | R | C | -2.4966 | |
| 139 | S | C | -1.6668 | |
| 140 | T | C | -1.4624 | |
| 141 | S | C | -1.5540 | |
| 142 | E | C | -2.1423 | |
| 143 | S | C | -1.2894 | |
| 144 | T | C | -0.9744 | |
| 145 | A | C | -0.7507 | |
| 146 | A | C | 0.0000 | |
| 147 | L | C | 0.0000 | |
| 148 | G | C | 0.0000 | |
| 149 | C | C | 0.0000 | |
| 150 | L | C | 0.0000 | |
| 151 | V | C | 0.0000 | |
| 152 | K | C | 0.0000 | |
| 153 | D | C | -0.3763 | |
| 154 | Y | C | 0.0000 | |
| 155 | F | C | 0.0000 | |
| 156 | P | C | 0.0000 | |
| 157 | E | C | -0.6012 | |
| 158 | P | C | -0.8730 | |
| 159 | V | C | 0.0000 | |
| 160 | T | C | -0.6649 | |
| 161 | V | C | -0.3256 | |
| 162 | S | C | -0.4388 | |
| 163 | W | C | 0.0000 | |
| 164 | N | C | -0.6935 | |
| 165 | S | C | -0.7188 | |
| 166 | G | C | -0.5386 | |
| 167 | A | C | -0.2313 | |
| 168 | L | C | -0.0526 | |
| 169 | T | C | -0.1612 | |
| 170 | S | C | -0.1627 | |
| 171 | G | C | -0.1602 | |
| 172 | V | C | 0.1882 | |
| 173 | H | C | -0.2946 | |
| 174 | T | C | -0.1488 | |
| 175 | F | C | 0.0000 | |
| 176 | P | C | -0.3176 | |
| 177 | A | C | 0.1639 | |
| 178 | V | C | 0.4973 | |
| 179 | L | C | 1.1139 | |
| 180 | Q | C | 0.2796 | |
| 181 | S | C | -0.1678 | |
| 182 | S | C | -0.1846 | |
| 183 | G | C | 0.0312 | |
| 184 | L | C | 0.0902 | |
| 185 | Y | C | 0.3447 | |
| 186 | S | C | 0.0000 | |
| 187 | L | C | 0.0000 | |
| 188 | S | C | 0.0000 | |
| 189 | S | C | 0.0000 | |
| 190 | V | C | 0.0000 | |
| 191 | V | C | 0.0000 | |
| 192 | T | C | -0.1022 | |
| 193 | V | C | 0.0000 | |
| 194 | P | C | -0.7796 | |
| 195 | S | C | -0.9731 | |
| 196 | S | C | -0.7610 | |
| 197 | N | C | -1.0084 | |
| 198 | F | C | 0.0000 | |
| 199 | G | C | -1.5834 | |
| 200 | T | C | -1.2940 | |
| 201 | Q | C | -1.5129 | |
| 202 | T | C | -0.9904 | |
| 203 | Y | C | 0.0000 | |
| 204 | T | C | -0.9652 | |
| 205 | C | C | 0.0000 | |
| 206 | N | C | -1.3191 | |
| 207 | V | C | 0.0000 | |
| 208 | D | C | -1.9078 | |
| 209 | H | C | 0.0000 | |
| 210 | K | C | -2.7753 | |
| 211 | P | C | -1.6643 | |
| 212 | S | C | -1.8811 | |
| 213 | N | C | -2.5887 | |
| 214 | T | C | -2.0846 | |
| 215 | K | C | -2.6337 | |
| 216 | V | C | -1.3930 | |
| 217 | D | C | -2.1804 | |
| 218 | K | C | -1.5755 | |
| 219 | T | C | -1.2661 | |
| 220 | V | C | 0.0000 | |
| 221 | E | C | -2.4473 | |
| 222 | R | C | -1.7927 | |
| 223 | K | C | -0.9472 | |
| 224 | C | C | -0.9004 | |
| 225 | C | C | -0.9659 | |
| 226 | V | C | -1.2290 | |
| 227 | E | C | -2.4033 | |
| 228 | C | C | -1.5516 | |
| 229 | P | C | -1.0894 | |
| 230 | P | C | -0.9220 | |
| 231 | C | C | -0.5686 | |
| 232 | P | C | -0.1860 | |
| 233 | A | C | 0.0831 | |
| 234 | P | C | 0.1226 | |
| 235 | P | C | 0.3138 | |
| 236 | V | C | 1.3835 | |
| 237 | A | C | 0.6042 | |
| 238 | G | C | 0.1430 | |
| 239 | P | C | 0.0000 | |
| 240 | S | C | 0.1274 | |
| 241 | V | C | 0.0000 | |
| 242 | F | C | 1.2282 | |
| 243 | L | C | 0.9986 | |
| 244 | F | C | 1.3580 | |
| 245 | P | C | -0.0713 | |
| 246 | P | C | 0.0000 | |
| 247 | K | C | -1.9669 | |
| 248 | P | C | -1.3407 | |
| 249 | K | C | -1.2498 | |
| 250 | D | C | 0.0000 | |
| 251 | T | C | 0.0000 | |
| 252 | L | C | 0.0000 | |
| 253 | M | C | 0.2645 | |
| 254 | I | C | 1.5044 | |
| 255 | S | C | 0.0754 | |
| 256 | R | C | -1.1678 | |
| 257 | T | C | -0.5887 | |
| 258 | P | C | 0.0000 | |
| 259 | E | C | -1.0479 | |
| 260 | V | C | 0.0000 | |
| 261 | T | C | 0.2260 | |
| 262 | C | C | 0.0000 | |
| 263 | V | C | 0.0000 | |
| 264 | V | C | 0.0000 | |
| 265 | V | C | -0.6815 | |
| 266 | D | C | -0.7738 | |
| 267 | V | C | 0.0000 | |
| 268 | S | C | -1.7377 | |
| 269 | H | C | -2.6065 | |
| 270 | E | C | -3.0400 | |
| 271 | D | C | -2.7262 | |
| 272 | P | C | -2.6723 | |
| 273 | E | C | -3.0358 | |
| 274 | V | C | -1.8119 | |
| 275 | Q | C | -1.7528 | |
| 276 | F | C | -0.9820 | |
| 277 | N | C | -1.0565 | |
| 278 | W | C | 0.0000 | |
| 279 | Y | C | -0.6060 | |
| 280 | V | C | -0.9412 | |
| 281 | D | C | -2.2593 | |
| 282 | G | C | -0.9130 | |
| 283 | V | C | 0.6083 | |
| 284 | E | C | -0.5705 | |
| 285 | V | C | -0.4872 | |
| 286 | H | C | -1.8629 | |
| 287 | N | C | -2.1592 | |
| 288 | A | C | -1.8902 | |
| 289 | K | C | -2.3908 | |
| 290 | T | C | -1.7861 | |
| 291 | K | C | -2.0819 | |
| 292 | P | C | -2.1835 | |
| 293 | R | C | -3.2662 | |
| 294 | E | C | -3.3240 | |
| 295 | E | C | -3.0634 | |
| 296 | Q | C | -1.2246 | |
| 297 | F | C | 0.8441 | |
| 298 | N | C | -0.3170 | |
| 299 | S | C | -0.7893 | |
| 300 | T | C | -1.6450 | |
| 301 | F | C | 0.0000 | |
| 302 | R | C | -2.2565 | |
| 303 | V | C | 0.0000 | |
| 304 | V | C | 0.0000 | |
| 305 | S | C | 0.0000 | |
| 306 | V | C | 0.0000 | |
| 307 | L | C | 0.0000 | |
| 308 | T | C | -0.5900 | |
| 309 | V | C | 0.0000 | |
| 310 | V | C | 1.1040 | |
| 311 | H | C | 0.0352 | |
| 312 | Q | C | -1.0703 | |
| 313 | D | C | -1.4139 | |
| 314 | W | C | 0.0000 | |
| 315 | L | C | -0.9963 | |
| 316 | N | C | -2.0910 | |
| 317 | G | C | -2.1789 | |
| 318 | K | C | -2.3326 | |
| 319 | E | C | -2.4406 | |
| 320 | Y | C | 0.0000 | |
| 321 | K | C | -1.7000 | |
| 322 | C | C | 0.0000 | |
| 323 | K | C | -1.4664 | |
| 324 | V | C | 0.0000 | |
| 325 | S | C | -1.3269 | |
| 326 | N | C | 0.0000 | |
| 327 | K | C | -2.6762 | |
| 328 | G | C | -1.6979 | |
| 329 | L | C | -0.6007 | |
| 330 | P | C | -0.5757 | |
| 331 | A | C | -0.4581 | |
| 332 | P | C | -0.8000 | |
| 333 | I | C | -0.6792 | |
| 334 | E | C | -1.9213 | |
| 335 | K | C | -1.2300 | |
| 336 | T | C | -1.0747 | |
| 337 | I | C | -0.2923 | |
| 338 | S | C | -1.2949 | |
| 339 | K | C | -1.4125 | |
| 340 | T | C | -1.3023 | |
| 341 | K | C | -2.3898 | |
| 342 | G | C | -1.9928 | |
| 343 | Q | C | -2.1260 | |
| 344 | P | C | -1.7489 | |
| 345 | R | C | -1.9617 | |
| 346 | E | C | -2.5390 | |
| 347 | P | C | 0.0000 | |
| 348 | Q | C | -1.1758 | |
| 349 | V | C | 0.0000 | |
| 350 | Y | C | 0.0000 | |
| 351 | T | C | -0.7976 | |
| 352 | L | C | 0.0000 | |
| 353 | P | C | -0.3699 | |
| 354 | P | C | 0.0000 | |
| 355 | S | C | -1.5505 | |
| 356 | R | C | -2.7183 | |
| 357 | E | C | -2.8430 | |
| 358 | E | C | 0.0000 | |
| 359 | M | C | -1.8948 | |
| 360 | T | C | -1.5892 | |
| 361 | K | C | -2.0281 | |
| 362 | N | C | -2.4144 | |
| 363 | Q | C | -2.2464 | |
| 364 | V | C | 0.0000 | |
| 365 | S | C | 0.0000 | |
| 366 | L | C | 0.0000 | |
| 367 | T | C | 0.0000 | |
| 368 | C | C | 0.0000 | |
| 369 | L | C | 0.0000 | |
| 370 | V | C | 0.0000 | |
| 371 | K | C | -0.4166 | |
| 372 | G | C | -0.9005 | |
| 373 | F | C | 0.0000 | |
| 374 | Y | C | -1.0487 | |
| 375 | P | C | 0.0000 | |
| 376 | S | C | -0.1954 | |
| 377 | D | C | -1.2206 | |
| 378 | I | C | -0.6441 | |
| 379 | A | C | -0.5765 | |
| 380 | V | C | 0.0000 | |
| 381 | E | C | -1.0123 | |
| 382 | W | C | 0.0000 | |
| 383 | E | C | -1.6260 | |
| 384 | S | C | 0.0000 | |
| 385 | N | C | -1.8835 | |
| 386 | G | C | -1.7479 | |
| 387 | Q | C | -2.2218 | |
| 388 | P | C | -1.7894 | |
| 389 | E | C | 0.0000 | |
| 390 | N | C | -1.8775 | |
| 391 | N | C | -1.2400 | |
| 392 | Y | C | -0.9655 | |
| 393 | K | C | -0.8696 | |
| 394 | T | C | -0.4505 | |
| 395 | T | C | 0.0000 | |
| 396 | P | C | 0.0293 | |
| 397 | P | C | 0.2463 | |
| 398 | M | C | 0.7541 | |
| 399 | L | C | 1.1467 | |
| 400 | D | C | -0.2081 | |
| 401 | S | C | -0.9461 | |
| 402 | D | C | -1.7908 | |
| 403 | G | C | -0.7121 | |
| 404 | S | C | 0.0000 | |
| 405 | F | C | 0.3203 | |
| 406 | F | C | 0.0000 | |
| 407 | L | C | 0.0000 | |
| 408 | Y | C | 0.0000 | |
| 409 | S | C | 0.0000 | |
| 410 | K | C | 0.0000 | |
| 411 | L | C | 0.0000 | |
| 412 | T | C | -0.8640 | |
| 413 | V | C | 0.0000 | |
| 414 | D | C | -2.4211 | |
| 415 | K | C | -2.5494 | |
| 416 | S | C | -2.1788 | |
| 417 | R | C | -2.0303 | |
| 418 | W | C | 0.0000 | |
| 419 | Q | C | -2.2239 | |
| 420 | Q | C | -2.1120 | |
| 421 | G | C | -1.3288 | |
| 422 | N | C | -1.0269 | |
| 423 | V | C | -0.1149 | |
| 424 | F | C | 0.0000 | |
| 425 | S | C | 0.0000 | |
| 426 | C | C | 0.0000 | |
| 427 | S | C | 0.0000 | |
| 428 | V | C | 0.0000 | |
| 429 | M | C | 0.0000 | |
| 430 | H | C | 0.0000 | |
| 431 | E | C | -1.0981 | |
| 432 | A | C | -1.4692 | |
| 433 | L | C | -1.3722 | |
| 434 | H | C | -1.7408 | |
| 435 | N | C | -1.6521 | |
| 436 | H | C | -1.1545 | |
| 437 | Y | C | -0.3458 | |
| 438 | T | C | -0.6468 | |
| 439 | Q | C | -1.0184 | |
| 440 | K | C | -1.1317 | |
| 441 | S | C | -0.5915 | |
| 442 | L | C | 0.0000 | |
| 443 | S | C | -0.3205 | |
| 444 | L | C | -0.5058 | |
| 445 | S | C | -0.7701 | |
| 446 | P | C | -1.1318 | |
| 447 | G | C | -1.4441 | |
| 448 | K | C | -2.0311 | |
| 1 | E | D | -2.0954 | |
| 2 | V | D | -1.4033 | |
| 3 | Q | D | -1.3425 | |
| 4 | L | D | 0.0000 | |
| 5 | L | D | 0.9409 | |
| 6 | E | D | 0.0000 | |
| 7 | S | D | -0.3469 | |
| 8 | G | D | -0.8558 | |
| 9 | G | D | -0.3783 | |
| 10 | G | D | -0.0977 | |
| 11 | L | D | 0.1680 | |
| 12 | V | D | -0.5188 | |
| 13 | Q | D | -1.5103 | |
| 14 | P | D | -1.6238 | |
| 15 | G | D | -1.3873 | |
| 16 | G | D | -1.0644 | |
| 17 | S | D | -1.2960 | |
| 18 | L | D | -1.1616 | |
| 19 | R | D | -2.1406 | |
| 20 | L | D | 0.0000 | |
| 21 | S | D | -0.4047 | |
| 22 | C | D | 0.0000 | |
| 23 | A | D | -0.1472 | |
| 24 | A | D | 0.0000 | |
| 25 | S | D | -1.0032 | |
| 26 | G | D | -1.2312 | |
| 27 | F | D | -0.4714 | |
| 28 | T | D | -0.1512 | |
| 29 | F | D | 0.0000 | |
| 30 | S | D | -0.4821 | |
| 31 | S | D | -0.1063 | |
| 32 | Y | D | 0.3971 | |
| 33 | A | D | 0.0000 | |
| 34 | M | D | 0.0000 | |
| 35 | S | D | 0.0000 | |
| 36 | W | D | 0.0000 | |
| 37 | V | D | 0.0000 | |
| 38 | R | D | 0.0000 | |
| 39 | Q | D | -0.7403 | |
| 40 | A | D | -1.1500 | |
| 41 | P | D | -0.9286 | |
| 42 | G | D | -1.4788 | |
| 43 | K | D | -2.4006 | |
| 44 | G | D | -1.6235 | |
| 45 | L | D | 0.0000 | |
| 46 | E | D | -1.0398 | |
| 47 | W | D | 0.0000 | |
| 48 | V | D | 0.0000 | |
| 49 | S | D | 0.0000 | |
| 50 | G | D | 0.0000 | |
| 51 | I | D | 0.0000 | |
| 52 | T | D | 0.0747 | |
| 53 | G | D | 0.0000 | |
| 54 | S | D | -0.6260 | |
| 55 | G | D | -0.7152 | |
| 56 | G | D | -0.7022 | |
| 57 | S | D | -0.3260 | |
| 58 | T | D | 0.0609 | |
| 59 | Y | D | 0.1459 | |
| 60 | Y | D | -0.6701 | |
| 61 | A | D | 0.0000 | |
| 62 | D | D | -2.4417 | |
| 63 | S | D | -1.7776 | |
| 64 | V | D | 0.0000 | |
| 65 | K | D | -2.5566 | |
| 66 | G | D | -1.7682 | |
| 67 | R | D | -1.5450 | |
| 68 | F | D | 0.0000 | |
| 69 | T | D | -0.7997 | |
| 70 | I | D | 0.0000 | |
| 71 | S | D | -0.4653 | |
| 72 | R | D | -1.0494 | |
| 73 | D | D | -1.5748 | |
| 74 | N | D | -1.6889 | |
| 75 | S | D | -1.5843 | |
| 76 | K | D | -2.3756 | |
| 77 | N | D | -1.7405 | |
| 78 | T | D | -1.0075 | |
| 79 | L | D | 0.0000 | |
| 80 | Y | D | -0.5974 | |
| 81 | L | D | 0.0000 | |
| 82 | Q | D | -1.2646 | |
| 83 | M | D | 0.0000 | |
| 84 | N | D | -1.5059 | |
| 85 | S | D | -1.2390 | |
| 86 | L | D | 0.0000 | |
| 87 | R | D | -2.2204 | |
| 88 | A | D | -1.6627 | |
| 89 | E | D | -2.2113 | |
| 90 | D | D | 0.0000 | |
| 91 | T | D | -0.6321 | |
| 92 | A | D | 0.0000 | |
| 93 | V | D | 0.3837 | |
| 94 | Y | D | 0.0000 | |
| 95 | Y | D | 0.0000 | |
| 96 | C | D | 0.0000 | |
| 97 | A | D | 0.0000 | |
| 98 | K | D | 0.0000 | |
| 99 | D | D | 0.0000 | |
| 100 | P | D | 0.0870 | |
| 101 | G | D | 0.5616 | |
| 102 | T | D | 0.4095 | |
| 103 | T | D | 0.7116 | |
| 104 | V | D | 1.8062 | |
| 105 | I | D | 0.0000 | |
| 106 | M | D | 0.9125 | |
| 107 | S | D | 0.0000 | |
| 108 | W | D | 0.1954 | |
| 109 | F | D | 0.0000 | |
| 110 | D | D | -1.3851 | |
| 111 | P | D | -1.2839 | |
| 112 | W | D | 0.0000 | |
| 113 | G | D | 0.0000 | |
| 114 | Q | D | -1.2373 | |
| 115 | G | D | 0.0000 | |
| 116 | T | D | 0.1432 | |
| 117 | L | D | 0.3738 | |
| 118 | V | D | 0.0000 | |
| 119 | T | D | 0.0000 | |
| 120 | V | D | 0.0000 | |
| 121 | S | D | -0.9255 | |
| 122 | S | D | -0.7037 | |
| 123 | A | D | -0.4940 | |
| 124 | S | D | -0.5809 | |
| 125 | T | D | -0.7102 | |
| 126 | K | D | -1.1946 | |
| 127 | G | D | -1.4103 | |
| 128 | P | D | 0.0000 | |
| 129 | S | D | -0.3874 | |
| 130 | V | D | 0.0000 | |
| 131 | F | D | 0.0000 | |
| 132 | P | D | -0.8523 | |
| 133 | L | D | 0.0000 | |
| 134 | A | D | 0.0000 | |
| 135 | P | D | -0.5550 | |
| 136 | C | D | 0.0000 | |
| 137 | S | D | -1.4234 | |
| 138 | R | D | -2.3201 | |
| 139 | S | D | -1.6521 | |
| 140 | T | D | -1.4563 | |
| 141 | S | D | -1.5482 | |
| 142 | E | D | -2.1409 | |
| 143 | S | D | -1.2890 | |
| 144 | T | D | -0.9727 | |
| 145 | A | D | -0.7462 | |
| 146 | A | D | 0.0000 | |
| 147 | L | D | 0.0000 | |
| 148 | G | D | 0.0000 | |
| 149 | C | D | 0.0000 | |
| 150 | L | D | 0.0000 | |
| 151 | V | D | 0.0000 | |
| 152 | K | D | 0.0000 | |
| 153 | D | D | -0.3629 | |
| 154 | Y | D | 0.0000 | |
| 155 | F | D | 0.0000 | |
| 156 | P | D | 0.0000 | |
| 157 | E | D | -0.4652 | |
| 158 | P | D | -0.7787 | |
| 159 | V | D | -0.8453 | |
| 160 | T | D | -0.7495 | |
| 161 | V | D | -0.4822 | |
| 162 | S | D | -0.5425 | |
| 163 | W | D | 0.0000 | |
| 164 | N | D | -0.7506 | |
| 165 | S | D | -0.7608 | |
| 166 | G | D | -0.5506 | |
| 167 | A | D | -0.2412 | |
| 168 | L | D | -0.0563 | |
| 169 | T | D | -0.1564 | |
| 170 | S | D | -0.1540 | |
| 171 | G | D | -0.1460 | |
| 172 | V | D | 0.2058 | |
| 173 | H | D | -0.2953 | |
| 174 | T | D | -0.1507 | |
| 175 | F | D | 0.0000 | |
| 176 | P | D | -0.2830 | |
| 177 | A | D | 0.2123 | |
| 178 | V | D | 0.5046 | |
| 179 | L | D | 1.1004 | |
| 180 | Q | D | 0.2633 | |
| 181 | S | D | -0.0649 | |
| 182 | S | D | -0.1915 | |
| 183 | G | D | 0.0210 | |
| 184 | L | D | 0.1119 | |
| 185 | Y | D | 0.3799 | |
| 186 | S | D | 0.0000 | |
| 187 | L | D | 0.0000 | |
| 188 | S | D | 0.0000 | |
| 189 | S | D | 0.0000 | |
| 190 | V | D | 0.0000 | |
| 191 | V | D | 0.0000 | |
| 192 | T | D | -0.0966 | |
| 193 | V | D | 0.0000 | |
| 194 | P | D | -0.7820 | |
| 195 | S | D | -0.9818 | |
| 196 | S | D | -0.7656 | |
| 197 | N | D | -1.0138 | |
| 198 | F | D | 0.0000 | |
| 199 | G | D | -1.5396 | |
| 200 | T | D | -1.2517 | |
| 201 | Q | D | -1.4696 | |
| 202 | T | D | -1.0807 | |
| 203 | Y | D | 0.0000 | |
| 204 | T | D | -0.9959 | |
| 205 | C | D | 0.0000 | |
| 206 | N | D | -1.5353 | |
| 207 | V | D | 0.0000 | |
| 208 | D | D | -2.3652 | |
| 209 | H | D | 0.0000 | |
| 210 | K | D | -2.8401 | |
| 211 | P | D | -1.6062 | |
| 212 | S | D | -1.8639 | |
| 213 | N | D | -2.6537 | |
| 214 | T | D | -2.1750 | |
| 215 | K | D | -2.8590 | |
| 216 | V | D | -1.6139 | |
| 217 | D | D | -2.4592 | |
| 218 | K | D | -1.6598 | |
| 219 | T | D | -1.2344 | |
| 220 | V | D | 0.0000 | |
| 221 | E | D | -2.2026 | |
| 222 | R | D | -1.5946 | |
| 223 | K | D | -0.6932 | |
| 224 | C | D | -0.8466 | |
| 225 | C | D | -0.8051 | |
| 226 | V | D | -1.1840 | |
| 227 | E | D | -2.0197 | |
| 228 | C | D | -1.4794 | |
| 229 | P | D | -1.0489 | |
| 230 | P | D | -0.7942 | |
| 231 | C | D | -0.4607 | |
| 232 | P | D | -0.2132 | |
| 233 | A | D | 0.0222 | |
| 234 | P | D | 0.0201 | |
| 235 | P | D | 0.0804 | |
| 236 | V | D | 0.9200 | |
| 237 | A | D | 0.3691 | |
| 238 | G | D | -0.0636 | |
| 239 | P | D | 0.0000 | |
| 240 | S | D | 0.1164 | |
| 241 | V | D | 0.0000 | |
| 242 | F | D | 1.2444 | |
| 243 | L | D | 1.0052 | |
| 244 | F | D | 1.3278 | |
| 245 | P | D | -0.1165 | |
| 246 | P | D | 0.0000 | |
| 247 | K | D | -2.2292 | |
| 248 | P | D | -1.4212 | |
| 249 | K | D | -1.2887 | |
| 250 | D | D | 0.0000 | |
| 251 | T | D | 0.0000 | |
| 252 | L | D | 0.0000 | |
| 253 | M | D | 0.2132 | |
| 254 | I | D | 1.4156 | |
| 255 | S | D | -0.0255 | |
| 256 | R | D | -1.4177 | |
| 257 | T | D | -0.7448 | |
| 258 | P | D | 0.0000 | |
| 259 | E | D | -1.1877 | |
| 260 | V | D | 0.0000 | |
| 261 | T | D | 0.2199 | |
| 262 | C | D | 0.0000 | |
| 263 | V | D | 0.0000 | |
| 264 | V | D | 0.0000 | |
| 265 | V | D | -0.7453 | |
| 266 | D | D | -0.7194 | |
| 267 | V | D | 0.0000 | |
| 268 | S | D | -1.6316 | |
| 269 | H | D | -2.3096 | |
| 270 | E | D | -2.9058 | |
| 271 | D | D | -2.6489 | |
| 272 | P | D | -2.6161 | |
| 273 | E | D | -3.0326 | |
| 274 | V | D | -1.8546 | |
| 275 | Q | D | -1.7589 | |
| 276 | F | D | -0.9763 | |
| 277 | N | D | -1.0536 | |
| 278 | W | D | 0.0000 | |
| 279 | Y | D | -0.6765 | |
| 280 | V | D | -1.0018 | |
| 281 | D | D | -2.3143 | |
| 282 | G | D | -0.9549 | |
| 283 | V | D | 0.5614 | |
| 284 | E | D | -0.6189 | |
| 285 | V | D | -0.5126 | |
| 286 | H | D | -1.8750 | |
| 287 | N | D | -2.1659 | |
| 288 | A | D | -1.9126 | |
| 289 | K | D | -2.4247 | |
| 290 | T | D | -1.8795 | |
| 291 | K | D | -2.3149 | |
| 292 | P | D | -2.4344 | |
| 293 | R | D | -3.6757 | |
| 294 | E | D | -3.7553 | |
| 295 | E | D | -3.2268 | |
| 296 | Q | D | -1.3231 | |
| 297 | F | D | 0.8185 | |
| 298 | N | D | -0.3009 | |
| 299 | S | D | -0.7328 | |
| 300 | T | D | 0.0000 | |
| 301 | F | D | 0.0000 | |
| 302 | R | D | -2.5035 | |
| 303 | V | D | 0.0000 | |
| 304 | V | D | 0.0000 | |
| 305 | S | D | 0.0000 | |
| 306 | V | D | 0.0000 | |
| 307 | L | D | 0.0000 | |
| 308 | T | D | -0.6276 | |
| 309 | V | D | 0.0000 | |
| 310 | V | D | 1.0969 | |
| 311 | H | D | 0.0023 | |
| 312 | Q | D | -1.0311 | |
| 313 | D | D | -1.3453 | |
| 314 | W | D | 0.0000 | |
| 315 | L | D | -0.9393 | |
| 316 | N | D | -2.0623 | |
| 317 | G | D | -2.1748 | |
| 318 | K | D | -2.3158 | |
| 319 | E | D | -2.5947 | |
| 320 | Y | D | 0.0000 | |
| 321 | K | D | -1.7647 | |
| 322 | C | D | 0.0000 | |
| 323 | K | D | -1.4527 | |
| 324 | V | D | 0.0000 | |
| 325 | S | D | -1.3286 | |
| 326 | N | D | 0.0000 | |
| 327 | K | D | -2.6880 | |
| 328 | G | D | -1.7658 | |
| 329 | L | D | -0.8091 | |
| 330 | P | D | -0.5934 | |
| 331 | A | D | -0.4572 | |
| 332 | P | D | -0.7954 | |
| 333 | I | D | -0.6725 | |
| 334 | E | D | -1.8538 | |
| 335 | K | D | -1.2750 | |
| 336 | T | D | -1.1526 | |
| 337 | I | D | -0.3562 | |
| 338 | S | D | -1.3287 | |
| 339 | K | D | -1.3987 | |
| 340 | T | D | -1.2727 | |
| 341 | K | D | -2.3897 | |
| 342 | G | D | -2.0208 | |
| 343 | Q | D | -2.1815 | |
| 344 | P | D | -1.8729 | |
| 345 | R | D | -2.2144 | |
| 346 | E | D | -2.6934 | |
| 347 | P | D | 0.0000 | |
| 348 | Q | D | -1.2122 | |
| 349 | V | D | 0.0000 | |
| 350 | Y | D | 0.0000 | |
| 351 | T | D | -0.7587 | |
| 352 | L | D | 0.0000 | |
| 353 | P | D | -0.3912 | |
| 354 | P | D | -0.8865 | |
| 355 | S | D | 0.0000 | |
| 356 | R | D | -2.7077 | |
| 357 | E | D | -2.8837 | |
| 358 | E | D | 0.0000 | |
| 359 | M | D | -2.0081 | |
| 360 | T | D | -1.7471 | |
| 361 | K | D | -2.3665 | |
| 362 | N | D | -2.5580 | |
| 363 | Q | D | -2.3266 | |
| 364 | V | D | 0.0000 | |
| 365 | S | D | 0.0000 | |
| 366 | L | D | 0.0000 | |
| 367 | T | D | 0.0000 | |
| 368 | C | D | 0.0000 | |
| 369 | L | D | 0.0000 | |
| 370 | V | D | 0.0000 | |
| 371 | K | D | -0.4337 | |
| 372 | G | D | -0.9648 | |
| 373 | F | D | 0.0000 | |
| 374 | Y | D | -1.1098 | |
| 375 | P | D | 0.0000 | |
| 376 | S | D | -0.2179 | |
| 377 | D | D | -1.1940 | |
| 378 | I | D | 0.0000 | |
| 379 | A | D | 0.0000 | |
| 380 | V | D | 0.0000 | |
| 381 | E | D | -1.1170 | |
| 382 | W | D | 0.0000 | |
| 383 | E | D | -1.6326 | |
| 384 | S | D | 0.0000 | |
| 385 | N | D | -1.8168 | |
| 386 | G | D | -1.7141 | |
| 387 | Q | D | -2.2207 | |
| 388 | P | D | -1.8008 | |
| 389 | E | D | 0.0000 | |
| 390 | N | D | -1.7890 | |
| 391 | N | D | -1.0436 | |
| 392 | Y | D | -0.7023 | |
| 393 | K | D | -0.5054 | |
| 394 | T | D | -0.3009 | |
| 395 | T | D | 0.0000 | |
| 396 | P | D | 0.0186 | |
| 397 | P | D | 0.2189 | |
| 398 | M | D | 0.6850 | |
| 399 | L | D | 1.1014 | |
| 400 | D | D | -0.2805 | |
| 401 | S | D | -1.0209 | |
| 402 | D | D | -1.7836 | |
| 403 | G | D | -0.7008 | |
| 404 | S | D | 0.0000 | |
| 405 | F | D | 0.2971 | |
| 406 | F | D | 0.0000 | |
| 407 | L | D | 0.0000 | |
| 408 | Y | D | 0.0000 | |
| 409 | S | D | 0.0000 | |
| 410 | K | D | 0.0000 | |
| 411 | L | D | 0.0000 | |
| 412 | T | D | -0.7565 | |
| 413 | V | D | 0.0000 | |
| 414 | D | D | -2.3610 | |
| 415 | K | D | -2.6131 | |
| 416 | S | D | -2.2065 | |
| 417 | R | D | -1.9785 | |
| 418 | W | D | 0.0000 | |
| 419 | Q | D | -2.3722 | |
| 420 | Q | D | -2.1288 | |
| 421 | G | D | -1.2066 | |
| 422 | N | D | -0.8731 | |
| 423 | V | D | 0.2380 | |
| 424 | F | D | 0.0000 | |
| 425 | S | D | 0.0000 | |
| 426 | C | D | 0.0000 | |
| 427 | S | D | 0.0000 | |
| 428 | V | D | 0.0000 | |
| 429 | M | D | 0.0000 | |
| 430 | H | D | 0.0000 | |
| 431 | E | D | -1.1588 | |
| 432 | A | D | -1.6094 | |
| 433 | L | D | 0.0000 | |
| 434 | H | D | -1.8339 | |
| 435 | N | D | -1.7144 | |
| 436 | H | D | -1.0506 | |
| 437 | Y | D | -0.4622 | |
| 438 | T | D | 0.0000 | |
| 439 | Q | D | -0.9309 | |
| 440 | K | D | -0.9154 | |
| 441 | S | D | -0.4057 | |
| 442 | L | D | 0.0000 | |
| 443 | S | D | -0.1276 | |
| 444 | L | D | -0.3239 | |
| 445 | S | D | -0.6949 | |
| 446 | P | D | -1.0952 | |
| 447 | G | D | -1.4192 | |
| 448 | K | D | -2.0304 |
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 | -0.6391 | 6.034 | View | CSV | PDB |
| 4.5 | -0.6899 | 6.034 | View | CSV | PDB |
| 5.0 | -0.7506 | 6.034 | View | CSV | PDB |
| 5.5 | -0.8098 | 6.034 | View | CSV | PDB |
| 6.0 | -0.8551 | 6.034 | View | CSV | PDB |
| 6.5 | -0.8771 | 6.034 | View | CSV | PDB |
| 7.0 | -0.875 | 6.034 | View | CSV | PDB |
| 7.5 | -0.8565 | 6.034 | View | CSV | PDB |
| 8.0 | -0.829 | 6.034 | View | CSV | PDB |
| 8.5 | -0.7952 | 6.034 | View | CSV | PDB |
| 9.0 | -0.7558 | 6.034 | 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