| Chain sequence(s) |
A: DIVMTQSPDSLAVSLGERATINCKSSQSVTFNYKNYLAWYQQKPGQPPKLLIYWASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQHYRTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
C: QVQLVESGGGVVQPGRSLRLSCAASGFTFSTYAMHWVRQAPGKGLEWVAVISYDANYKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKDSQLRSLLYFEWLSQGYFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK B: DIVMTQSPDSLAVSLGERATINCKSSQSVTFNYKNYLAWYQQKPGQPPKLLIYWASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQHYRTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC D: QVQLVESGGGVVQPGRSLRLSCAASGFTFSTYAMHWVRQAPGKGLEWVAVISYDANYKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKDSQLRSLLYFEWLSQGYFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK 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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:15:28)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ae8f3b7e8f36b30/tmp/folded.pdb (00:15:28)
[INFO] Main: Simulation completed successfully. (00:22:15)
|
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 | D | A | -1.6653 | |
| 2 | I | A | 0.0000 | |
| 3 | V | A | 0.8948 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -0.6528 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -1.1672 | |
| 8 | P | A | -1.2820 | |
| 9 | D | A | -2.3108 | |
| 10 | S | A | -1.3406 | |
| 11 | L | A | -0.7175 | |
| 12 | A | A | -0.5548 | |
| 13 | V | A | 0.0000 | |
| 14 | S | A | -1.1537 | |
| 15 | L | A | -0.0435 | |
| 16 | G | A | -1.0456 | |
| 17 | E | A | -2.6831 | |
| 18 | R | A | -2.7425 | |
| 19 | A | A | 0.0000 | |
| 20 | T | A | -0.6366 | |
| 21 | I | A | 0.0000 | |
| 22 | N | A | -1.4475 | |
| 23 | C | A | 0.0000 | |
| 24 | K | A | -1.7056 | |
| 25 | S | A | 0.0000 | |
| 26 | S | A | -0.6463 | |
| 27 | Q | A | -1.1024 | |
| 28 | S | A | -0.7592 | |
| 29 | V | A | 0.0000 | |
| 30 | T | A | -0.0167 | |
| 31 | F | A | 0.4748 | |
| 32 | N | A | -0.4831 | |
| 33 | Y | A | 0.4682 | |
| 34 | K | A | -0.5626 | |
| 35 | N | A | -0.3666 | |
| 36 | Y | A | 0.0000 | |
| 37 | L | A | 0.0000 | |
| 38 | A | 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 | -1.3204 | |
| 44 | P | A | -1.1359 | |
| 45 | G | A | -1.2326 | |
| 46 | Q | A | -1.7759 | |
| 47 | P | A | -1.2757 | |
| 48 | P | A | 0.0000 | |
| 49 | K | A | -1.4831 | |
| 50 | L | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | I | A | 0.0000 | |
| 53 | Y | A | -0.1033 | |
| 54 | W | A | -0.1068 | |
| 55 | A | A | 0.0000 | |
| 56 | S | A | -0.5921 | |
| 57 | T | A | -0.6384 | |
| 58 | R | A | -1.5460 | |
| 59 | E | A | -1.2395 | |
| 60 | S | A | -0.8381 | |
| 61 | G | A | -0.9983 | |
| 62 | V | A | -1.1702 | |
| 63 | P | A | -1.4049 | |
| 64 | D | A | -2.2249 | |
| 65 | R | A | -1.5317 | |
| 66 | F | A | 0.0000 | |
| 67 | S | A | -0.9234 | |
| 68 | G | A | 0.0000 | |
| 69 | S | A | -0.7893 | |
| 70 | G | A | -1.2281 | |
| 71 | S | A | -0.9334 | |
| 72 | G | A | -0.9015 | |
| 73 | T | A | -1.6237 | |
| 74 | D | A | -2.5697 | |
| 75 | F | A | 0.0000 | |
| 76 | T | A | -0.9863 | |
| 77 | L | A | 0.0000 | |
| 78 | T | A | -0.6583 | |
| 79 | I | A | 0.0000 | |
| 80 | S | A | -1.7468 | |
| 81 | S | A | -1.6091 | |
| 82 | L | A | 0.0000 | |
| 83 | Q | A | -1.1211 | |
| 84 | A | A | -1.2073 | |
| 85 | E | A | -2.1401 | |
| 86 | D | A | 0.0000 | |
| 87 | V | A | -0.9576 | |
| 88 | A | A | 0.0000 | |
| 89 | V | A | -0.4703 | |
| 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 | H | A | 0.0000 | |
| 96 | Y | A | -0.5730 | |
| 97 | R | A | -1.7489 | |
| 98 | T | A | -1.0753 | |
| 99 | P | A | -1.0048 | |
| 100 | P | A | 0.0000 | |
| 101 | T | A | -0.2436 | |
| 102 | F | A | 0.1124 | |
| 103 | G | A | 0.0000 | |
| 104 | Q | A | -1.3793 | |
| 105 | G | A | 0.0000 | |
| 106 | T | A | 0.0000 | |
| 107 | K | A | -1.4940 | |
| 108 | V | A | 0.0000 | |
| 109 | E | A | -0.8526 | |
| 110 | I | A | 0.0000 | |
| 111 | K | A | -1.5737 | |
| 112 | R | A | -0.9280 | |
| 113 | T | A | -0.1850 | |
| 114 | V | A | 0.2710 | |
| 115 | A | A | -0.0341 | |
| 116 | A | A | -0.1185 | |
| 117 | P | A | 0.0000 | |
| 118 | S | A | -0.2277 | |
| 119 | V | A | 0.0000 | |
| 120 | F | A | 0.0000 | |
| 121 | I | A | 0.0000 | |
| 122 | F | A | 0.0000 | |
| 123 | P | A | -0.5320 | |
| 124 | P | A | -0.7599 | |
| 125 | S | A | -1.6673 | |
| 126 | D | A | -2.7307 | |
| 127 | E | A | -2.5554 | |
| 128 | Q | A | 0.0000 | |
| 129 | L | A | -2.1755 | |
| 130 | K | A | -3.1868 | |
| 131 | S | A | -2.3379 | |
| 132 | G | A | -1.5779 | |
| 133 | T | A | -0.9467 | |
| 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 | -0.8489 | |
| 143 | F | A | 0.0000 | |
| 144 | Y | A | 0.0000 | |
| 145 | P | A | -1.6182 | |
| 146 | R | A | -2.6641 | |
| 147 | E | A | -3.0428 | |
| 148 | A | A | -2.2911 | |
| 149 | K | A | -2.5506 | |
| 150 | V | A | 0.0000 | |
| 151 | Q | A | -0.8549 | |
| 152 | W | A | 0.0000 | |
| 153 | K | A | -0.5943 | |
| 154 | V | A | 0.0000 | |
| 155 | D | A | -1.8537 | |
| 156 | N | A | -1.4960 | |
| 157 | A | A | -0.2403 | |
| 158 | L | A | 0.6913 | |
| 159 | Q | A | -0.2650 | |
| 160 | S | A | -0.6748 | |
| 161 | G | A | -1.1942 | |
| 162 | N | A | -1.4331 | |
| 163 | S | A | -1.3447 | |
| 164 | Q | A | -1.2910 | |
| 165 | E | A | -1.4784 | |
| 166 | S | A | -0.7983 | |
| 167 | V | A | -0.7315 | |
| 168 | T | A | -1.1653 | |
| 169 | E | A | -2.2133 | |
| 170 | Q | A | -1.8859 | |
| 171 | D | A | -1.9107 | |
| 172 | S | A | -2.0158 | |
| 173 | K | A | -2.4116 | |
| 174 | D | A | -1.6807 | |
| 175 | S | A | -1.7530 | |
| 176 | T | A | 0.0000 | |
| 177 | Y | A | 0.0000 | |
| 178 | S | A | 0.0000 | |
| 179 | L | A | 0.0000 | |
| 180 | S | A | 0.0000 | |
| 181 | S | A | 0.0000 | |
| 182 | T | A | -0.6258 | |
| 183 | L | A | 0.0000 | |
| 184 | T | A | -0.5624 | |
| 185 | L | A | -0.6866 | |
| 186 | S | A | -0.9204 | |
| 187 | K | A | -1.9669 | |
| 188 | A | A | -1.7061 | |
| 189 | D | A | -2.1723 | |
| 190 | Y | A | 0.0000 | |
| 191 | E | A | -3.3462 | |
| 192 | K | A | -3.4698 | |
| 193 | H | A | -2.8455 | |
| 194 | K | A | -3.0955 | |
| 195 | V | A | -1.5230 | |
| 196 | Y | A | 0.0000 | |
| 197 | A | A | 0.0000 | |
| 198 | C | A | 0.0000 | |
| 199 | E | A | -0.7807 | |
| 200 | V | A | 0.0000 | |
| 201 | T | A | -1.2864 | |
| 202 | H | A | 0.0000 | |
| 203 | Q | A | -1.7185 | |
| 204 | G | A | -0.4303 | |
| 205 | L | A | -0.2321 | |
| 206 | S | A | -0.4454 | |
| 207 | S | A | -0.4025 | |
| 208 | P | A | -0.6369 | |
| 209 | V | A | 0.0468 | |
| 210 | T | A | -0.4275 | |
| 211 | K | A | -0.7559 | |
| 212 | S | A | -0.6313 | |
| 213 | F | A | 0.0000 | |
| 214 | N | A | -1.6629 | |
| 215 | R | A | -2.3412 | |
| 216 | G | A | -1.9055 | |
| 217 | E | A | -2.1522 | |
| 218 | C | A | -1.1010 | |
| 1 | D | B | -1.6559 | |
| 2 | I | B | 0.0000 | |
| 3 | V | B | 0.8403 | |
| 4 | M | B | 0.0000 | |
| 5 | T | B | -0.7471 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -1.3792 | |
| 8 | P | B | -1.3331 | |
| 9 | D | B | -2.3847 | |
| 10 | S | B | -1.4407 | |
| 11 | L | B | -0.7088 | |
| 12 | A | B | -0.4004 | |
| 13 | V | B | 0.0000 | |
| 14 | S | B | -0.8591 | |
| 15 | L | B | 0.1098 | |
| 16 | G | B | -1.0131 | |
| 17 | E | B | -2.3912 | |
| 18 | R | B | -2.6087 | |
| 19 | A | B | 0.0000 | |
| 20 | T | B | -0.6310 | |
| 21 | I | B | 0.0000 | |
| 22 | N | B | -1.4741 | |
| 23 | C | B | 0.0000 | |
| 24 | K | B | -1.9136 | |
| 25 | S | B | 0.0000 | |
| 26 | S | B | -0.6700 | |
| 27 | Q | B | -1.0805 | |
| 28 | S | B | -0.7441 | |
| 29 | V | B | 0.0000 | |
| 30 | T | B | -0.0058 | |
| 31 | F | B | 0.4448 | |
| 32 | N | B | -0.4733 | |
| 33 | Y | B | 0.5133 | |
| 34 | K | B | -0.4430 | |
| 35 | N | B | -0.3172 | |
| 36 | Y | B | 0.0000 | |
| 37 | L | B | 0.0000 | |
| 38 | A | B | 0.0000 | |
| 39 | W | B | 0.0000 | |
| 40 | Y | B | 0.0000 | |
| 41 | Q | B | 0.0000 | |
| 42 | Q | B | 0.0000 | |
| 43 | K | B | -1.3171 | |
| 44 | P | B | -1.1178 | |
| 45 | G | B | -1.1785 | |
| 46 | Q | B | -1.6334 | |
| 47 | P | B | -1.1823 | |
| 48 | P | B | 0.0000 | |
| 49 | K | B | -1.3403 | |
| 50 | L | B | 0.0000 | |
| 51 | L | B | 0.0000 | |
| 52 | I | B | 0.0000 | |
| 53 | Y | B | -0.1053 | |
| 54 | W | B | -0.0763 | |
| 55 | A | B | 0.0000 | |
| 56 | S | B | -0.5803 | |
| 57 | T | B | -0.6271 | |
| 58 | R | B | -1.5260 | |
| 59 | E | B | -1.2063 | |
| 60 | S | B | -0.8262 | |
| 61 | G | B | -0.9901 | |
| 62 | V | B | -1.1382 | |
| 63 | P | B | -1.3649 | |
| 64 | D | B | -2.1862 | |
| 65 | R | B | -1.4674 | |
| 66 | F | B | 0.0000 | |
| 67 | S | B | -0.8676 | |
| 68 | G | B | 0.0000 | |
| 69 | S | B | -0.7296 | |
| 70 | G | B | -1.1540 | |
| 71 | S | B | -0.8503 | |
| 72 | G | B | -0.8322 | |
| 73 | T | B | -1.5460 | |
| 74 | D | B | -2.3274 | |
| 75 | F | B | 0.0000 | |
| 76 | T | B | -0.9541 | |
| 77 | L | B | 0.0000 | |
| 78 | T | B | -0.6327 | |
| 79 | I | B | 0.0000 | |
| 80 | S | B | -1.6614 | |
| 81 | S | B | -1.5219 | |
| 82 | L | B | 0.0000 | |
| 83 | Q | B | -1.0528 | |
| 84 | A | B | -1.2176 | |
| 85 | E | B | -2.1491 | |
| 86 | D | B | 0.0000 | |
| 87 | V | B | -1.0176 | |
| 88 | A | B | 0.0000 | |
| 89 | V | B | -0.6132 | |
| 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 | H | B | 0.0000 | |
| 96 | Y | B | -0.5860 | |
| 97 | R | B | -1.7337 | |
| 98 | T | B | -1.0609 | |
| 99 | P | B | -0.9826 | |
| 100 | P | B | 0.0000 | |
| 101 | T | B | -0.2424 | |
| 102 | F | B | 0.1104 | |
| 103 | G | B | 0.0000 | |
| 104 | Q | B | -1.4182 | |
| 105 | G | B | 0.0000 | |
| 106 | T | B | 0.0000 | |
| 107 | K | B | -1.7281 | |
| 108 | V | B | 0.0000 | |
| 109 | E | B | -0.7972 | |
| 110 | I | B | 0.0000 | |
| 111 | K | B | -1.0643 | |
| 112 | R | B | -0.7117 | |
| 113 | T | B | -0.1030 | |
| 114 | V | B | 0.2856 | |
| 115 | A | B | -0.0435 | |
| 116 | A | B | -0.1100 | |
| 117 | P | B | 0.0000 | |
| 118 | S | B | -0.1840 | |
| 119 | V | B | 0.0000 | |
| 120 | F | B | 0.0000 | |
| 121 | I | B | 0.0000 | |
| 122 | F | B | 0.0000 | |
| 123 | P | B | -0.5085 | |
| 124 | P | B | -0.7463 | |
| 125 | S | B | -1.6397 | |
| 126 | D | B | -2.6847 | |
| 127 | E | B | -2.4802 | |
| 128 | Q | B | 0.0000 | |
| 129 | L | B | -2.1374 | |
| 130 | K | B | -3.0727 | |
| 131 | S | B | -2.2672 | |
| 132 | G | B | -1.4276 | |
| 133 | T | B | -0.9244 | |
| 134 | A | B | 0.0000 | |
| 135 | S | B | 0.0000 | |
| 136 | V | B | 0.0000 | |
| 137 | V | B | 0.0000 | |
| 138 | C | B | 0.0000 | |
| 139 | L | B | 0.0000 | |
| 140 | L | B | 0.0000 | |
| 141 | N | B | 0.0000 | |
| 142 | N | B | -0.7820 | |
| 143 | F | B | 0.0000 | |
| 144 | Y | B | 0.0000 | |
| 145 | P | B | -1.5765 | |
| 146 | R | B | -2.7250 | |
| 147 | E | B | -3.0726 | |
| 148 | A | B | -2.2449 | |
| 149 | K | B | -2.3902 | |
| 150 | V | B | -1.0638 | |
| 151 | Q | B | -0.6370 | |
| 152 | W | B | 0.0000 | |
| 153 | K | B | -0.6576 | |
| 154 | V | B | 0.0000 | |
| 155 | D | B | -1.9270 | |
| 156 | N | B | -1.5580 | |
| 157 | A | B | -0.2902 | |
| 158 | L | B | 0.6808 | |
| 159 | Q | B | -0.0906 | |
| 160 | S | B | -0.3911 | |
| 161 | G | B | -0.8624 | |
| 162 | N | B | -0.7405 | |
| 163 | S | B | -0.9464 | |
| 164 | Q | B | -1.0603 | |
| 165 | E | B | -1.3280 | |
| 166 | S | B | -0.7559 | |
| 167 | V | B | -0.7327 | |
| 168 | T | B | 0.0000 | |
| 169 | E | B | -2.1669 | |
| 170 | Q | B | 0.0000 | |
| 171 | D | B | -1.8552 | |
| 172 | S | B | -2.0021 | |
| 173 | K | B | -2.4171 | |
| 174 | D | B | -1.6942 | |
| 175 | S | B | 0.0000 | |
| 176 | T | B | 0.0000 | |
| 177 | Y | B | 0.0000 | |
| 178 | S | B | 0.0000 | |
| 179 | L | B | 0.0000 | |
| 180 | S | B | 0.0000 | |
| 181 | S | B | 0.0000 | |
| 182 | T | B | -0.4922 | |
| 183 | L | B | 0.0000 | |
| 184 | T | B | -0.3648 | |
| 185 | L | B | -0.5586 | |
| 186 | S | B | -0.9483 | |
| 187 | K | B | -2.0222 | |
| 188 | A | B | -1.7708 | |
| 189 | D | B | -2.2228 | |
| 190 | Y | B | 0.0000 | |
| 191 | E | B | -3.5168 | |
| 192 | K | B | -3.5374 | |
| 193 | H | B | -2.8468 | |
| 194 | K | B | -3.0821 | |
| 195 | V | B | -1.5205 | |
| 196 | Y | B | 0.0000 | |
| 197 | A | B | 0.0000 | |
| 198 | C | B | 0.0000 | |
| 199 | E | B | -0.6435 | |
| 200 | V | B | 0.0000 | |
| 201 | T | B | -1.1793 | |
| 202 | H | B | 0.0000 | |
| 203 | Q | B | -1.7266 | |
| 204 | G | B | -0.4370 | |
| 205 | L | B | -0.2077 | |
| 206 | S | B | -0.4279 | |
| 207 | S | B | -0.3698 | |
| 208 | P | B | -0.5232 | |
| 209 | V | B | 0.2451 | |
| 210 | T | B | -0.2487 | |
| 211 | K | B | -0.4660 | |
| 212 | S | B | -0.4885 | |
| 213 | F | B | 0.0000 | |
| 214 | N | B | -1.6214 | |
| 215 | R | B | -2.3017 | |
| 216 | G | B | -1.8983 | |
| 217 | E | B | -1.9516 | |
| 218 | C | B | -1.0664 | |
| 1 | Q | C | -1.4527 | |
| 2 | V | C | -0.7929 | |
| 3 | Q | C | -0.8315 | |
| 4 | L | C | 0.0000 | |
| 5 | V | C | 0.5330 | |
| 6 | E | C | 0.0000 | |
| 7 | S | C | -0.4813 | |
| 8 | G | C | -0.8791 | |
| 9 | G | C | -0.4610 | |
| 10 | G | C | -0.0202 | |
| 11 | V | C | 0.1875 | |
| 12 | V | C | 0.0000 | |
| 13 | Q | C | -1.7522 | |
| 14 | P | C | -2.0510 | |
| 15 | G | C | -2.1135 | |
| 16 | R | C | -2.6934 | |
| 17 | S | C | -2.0683 | |
| 18 | L | C | -1.4784 | |
| 19 | R | C | -2.0698 | |
| 20 | L | C | 0.0000 | |
| 21 | S | C | -0.4617 | |
| 22 | C | C | 0.0000 | |
| 23 | A | C | -0.2523 | |
| 24 | A | C | 0.0000 | |
| 25 | S | C | -0.9041 | |
| 26 | G | C | -0.9967 | |
| 27 | F | C | -0.3585 | |
| 28 | T | C | -0.0354 | |
| 29 | F | C | 0.0000 | |
| 30 | S | C | -1.0033 | |
| 31 | T | C | -0.5038 | |
| 32 | Y | C | -0.0404 | |
| 33 | A | C | 0.0000 | |
| 34 | M | C | 0.0000 | |
| 35 | H | C | 0.0000 | |
| 36 | W | C | 0.0000 | |
| 37 | V | C | 0.0000 | |
| 38 | R | C | 0.0000 | |
| 39 | Q | C | -0.7700 | |
| 40 | A | C | -1.1625 | |
| 41 | P | C | -0.9454 | |
| 42 | G | C | -1.4502 | |
| 43 | K | C | -2.3192 | |
| 44 | G | C | -1.4638 | |
| 45 | L | C | 0.0000 | |
| 46 | E | C | -1.0105 | |
| 47 | W | C | 0.0000 | |
| 48 | V | C | 0.0000 | |
| 49 | A | C | 0.0000 | |
| 50 | V | C | 0.0000 | |
| 51 | I | C | 0.0000 | |
| 52 | S | C | 0.0000 | |
| 53 | Y | C | -1.1542 | |
| 54 | D | C | -2.4132 | |
| 55 | A | C | -1.5967 | |
| 56 | N | C | -1.6597 | |
| 57 | Y | C | -0.3685 | |
| 58 | K | C | -0.4346 | |
| 59 | Y | C | -0.1404 | |
| 60 | Y | C | -0.8344 | |
| 61 | A | C | 0.0000 | |
| 62 | D | C | -2.4445 | |
| 63 | S | C | -1.7823 | |
| 64 | V | C | 0.0000 | |
| 65 | K | C | -2.5549 | |
| 66 | G | C | -1.7626 | |
| 67 | R | C | -1.5285 | |
| 68 | F | C | 0.0000 | |
| 69 | T | C | -0.8786 | |
| 70 | I | C | 0.0000 | |
| 71 | S | C | -0.6330 | |
| 72 | R | C | 0.0000 | |
| 73 | D | C | -1.5329 | |
| 74 | N | C | -1.7805 | |
| 75 | S | C | -1.5336 | |
| 76 | K | C | -2.3383 | |
| 77 | N | C | -1.6964 | |
| 78 | T | C | -0.9750 | |
| 79 | L | C | 0.0000 | |
| 80 | Y | C | -0.4725 | |
| 81 | L | C | 0.0000 | |
| 82 | Q | C | -1.2336 | |
| 83 | M | C | 0.0000 | |
| 84 | N | C | -1.9089 | |
| 85 | S | C | -1.7313 | |
| 86 | L | C | 0.0000 | |
| 87 | R | C | -2.5777 | |
| 88 | A | C | -1.7071 | |
| 89 | E | C | -2.2678 | |
| 90 | D | C | 0.0000 | |
| 91 | T | C | -0.7021 | |
| 92 | A | C | 0.0000 | |
| 93 | V | C | 0.2781 | |
| 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 | S | C | 0.3105 | |
| 101 | Q | C | 0.0000 | |
| 102 | L | C | 0.6650 | |
| 103 | R | C | -0.9989 | |
| 104 | S | C | 0.0267 | |
| 105 | L | C | 1.1051 | |
| 106 | L | C | 0.0000 | |
| 107 | Y | C | 1.5817 | |
| 108 | F | C | 1.2438 | |
| 109 | E | C | -0.6184 | |
| 110 | W | C | 0.4678 | |
| 111 | L | C | 0.0000 | |
| 112 | S | C | 0.0000 | |
| 113 | Q | C | 0.0000 | |
| 114 | G | C | 0.0000 | |
| 115 | Y | C | 0.2445 | |
| 116 | F | C | 0.0000 | |
| 117 | D | C | -0.0909 | |
| 118 | Y | C | 0.3523 | |
| 119 | W | C | -0.0990 | |
| 120 | G | C | 0.0000 | |
| 121 | Q | C | -1.1980 | |
| 122 | G | C | 0.0000 | |
| 123 | T | C | 0.0007 | |
| 124 | L | C | 0.2417 | |
| 125 | V | C | 0.0000 | |
| 126 | T | C | 0.0000 | |
| 127 | V | C | 0.0000 | |
| 128 | S | C | -0.8266 | |
| 129 | S | C | -0.5441 | |
| 130 | A | C | -0.3168 | |
| 131 | S | C | -0.4480 | |
| 132 | T | C | -0.1530 | |
| 133 | K | C | -0.5221 | |
| 134 | G | C | 0.0000 | |
| 135 | P | C | 0.0000 | |
| 136 | S | C | -0.2854 | |
| 137 | V | C | 0.0000 | |
| 138 | F | C | 0.0000 | |
| 139 | P | C | -0.9758 | |
| 140 | L | C | 0.0000 | |
| 141 | A | C | -1.2204 | |
| 142 | P | C | 0.0000 | |
| 143 | S | C | -0.8701 | |
| 144 | S | C | -0.6977 | |
| 145 | K | C | -0.9246 | |
| 146 | S | C | 0.0000 | |
| 147 | T | C | -0.6634 | |
| 148 | S | C | -0.6966 | |
| 149 | G | C | -0.8055 | |
| 150 | G | C | -0.8677 | |
| 151 | T | C | -0.6093 | |
| 152 | A | C | 0.0000 | |
| 153 | A | C | 0.0000 | |
| 154 | L | C | 0.0000 | |
| 155 | G | C | 0.0000 | |
| 156 | C | C | 0.0000 | |
| 157 | L | C | 0.0000 | |
| 158 | V | C | 0.0000 | |
| 159 | K | C | 0.0000 | |
| 160 | D | C | -0.1866 | |
| 161 | Y | C | 0.0000 | |
| 162 | F | C | 0.0000 | |
| 163 | P | C | 0.0000 | |
| 164 | E | C | -0.4887 | |
| 165 | P | C | -0.7571 | |
| 166 | V | C | -0.6794 | |
| 167 | T | C | -0.5750 | |
| 168 | V | C | -0.1747 | |
| 169 | S | C | -0.2840 | |
| 170 | W | C | 0.0000 | |
| 171 | N | C | -0.6163 | |
| 172 | S | C | -0.5535 | |
| 173 | G | C | -0.4835 | |
| 174 | A | C | -0.1914 | |
| 175 | L | C | -0.0106 | |
| 176 | T | C | -0.1458 | |
| 177 | S | C | -0.1701 | |
| 178 | G | C | -0.1958 | |
| 179 | V | C | 0.1738 | |
| 180 | H | C | -0.3186 | |
| 181 | T | C | 0.0281 | |
| 182 | F | C | 0.0000 | |
| 183 | P | C | -0.2813 | |
| 184 | A | C | 0.2270 | |
| 185 | V | C | 0.5358 | |
| 186 | L | C | 1.1558 | |
| 187 | Q | C | 0.2903 | |
| 188 | S | C | -0.0590 | |
| 189 | S | C | -0.1878 | |
| 190 | G | C | 0.0289 | |
| 191 | L | C | 0.2503 | |
| 192 | Y | C | 0.5001 | |
| 193 | S | C | 0.0000 | |
| 194 | L | C | 0.0000 | |
| 195 | S | C | 0.0000 | |
| 196 | S | C | 0.0000 | |
| 197 | V | C | 0.0000 | |
| 198 | V | C | 0.0000 | |
| 199 | T | C | -0.1326 | |
| 200 | V | C | 0.0000 | |
| 201 | P | C | -0.6026 | |
| 202 | S | C | -0.5635 | |
| 203 | S | C | -0.5705 | |
| 204 | S | C | -0.5443 | |
| 205 | L | C | -0.7735 | |
| 206 | G | C | -0.9366 | |
| 207 | T | C | -0.6587 | |
| 208 | Q | C | -1.1555 | |
| 209 | T | C | -1.0142 | |
| 210 | Y | C | 0.0000 | |
| 211 | I | C | 0.0000 | |
| 212 | C | C | 0.0000 | |
| 213 | N | C | -0.9702 | |
| 214 | V | C | 0.0000 | |
| 215 | N | C | -1.6891 | |
| 216 | H | C | 0.0000 | |
| 217 | K | C | -2.6726 | |
| 218 | P | C | -1.2534 | |
| 219 | S | C | 0.0000 | |
| 220 | N | C | -2.3616 | |
| 221 | T | C | -1.8654 | |
| 222 | K | C | -2.4743 | |
| 223 | V | C | -1.0538 | |
| 224 | D | C | -1.1745 | |
| 225 | K | C | -1.3621 | |
| 226 | R | C | -1.6471 | |
| 227 | V | C | 0.0000 | |
| 228 | E | C | -2.7185 | |
| 229 | P | C | -1.8477 | |
| 230 | K | C | -2.2744 | |
| 231 | S | C | -1.6934 | |
| 232 | C | C | -1.2846 | |
| 233 | D | C | -2.6750 | |
| 234 | K | C | -2.8012 | |
| 235 | T | C | -1.9070 | |
| 236 | H | C | -1.9851 | |
| 237 | T | C | -1.2993 | |
| 238 | C | C | -0.6657 | |
| 239 | P | C | -0.6662 | |
| 240 | P | C | -0.2622 | |
| 241 | C | C | -0.3319 | |
| 242 | P | C | -0.6288 | |
| 243 | A | C | -0.5917 | |
| 244 | P | C | -1.0201 | |
| 245 | E | C | -1.4473 | |
| 246 | L | C | -0.1778 | |
| 247 | L | C | 0.4519 | |
| 248 | G | C | 0.2112 | |
| 249 | G | C | -0.1373 | |
| 250 | P | C | 0.0000 | |
| 251 | S | C | 0.1972 | |
| 252 | V | C | 0.0000 | |
| 253 | F | C | 1.4595 | |
| 254 | L | C | 1.0970 | |
| 255 | F | C | 1.1435 | |
| 256 | P | C | -0.2424 | |
| 257 | P | C | 0.0000 | |
| 258 | K | C | -2.3433 | |
| 259 | P | C | -1.5185 | |
| 260 | K | C | -1.4491 | |
| 261 | D | C | -1.4649 | |
| 262 | T | C | 0.0000 | |
| 263 | L | C | 0.0000 | |
| 264 | M | C | 0.1785 | |
| 265 | I | C | 1.3477 | |
| 266 | S | C | -0.0274 | |
| 267 | R | C | -1.4302 | |
| 268 | T | C | -0.9095 | |
| 269 | P | C | 0.0000 | |
| 270 | E | C | -1.3913 | |
| 271 | V | C | 0.0000 | |
| 272 | T | C | 0.1492 | |
| 273 | C | C | 0.0000 | |
| 274 | V | C | 0.0000 | |
| 275 | V | C | 0.0000 | |
| 276 | V | C | -0.5476 | |
| 277 | D | C | -0.7622 | |
| 278 | V | C | 0.0000 | |
| 279 | S | C | -1.8677 | |
| 280 | H | C | -2.6557 | |
| 281 | E | C | -3.3329 | |
| 282 | D | C | -2.5907 | |
| 283 | P | C | -2.6429 | |
| 284 | E | C | -3.0819 | |
| 285 | V | C | -2.0163 | |
| 286 | K | C | -2.2184 | |
| 287 | F | C | -1.2206 | |
| 288 | N | C | -0.9552 | |
| 289 | W | C | 0.0000 | |
| 290 | Y | C | -0.5766 | |
| 291 | V | C | -0.8497 | |
| 292 | D | C | -2.0652 | |
| 293 | G | C | -0.8386 | |
| 294 | V | C | 0.6190 | |
| 295 | E | C | -0.6364 | |
| 296 | V | C | -0.5343 | |
| 297 | H | C | -1.8777 | |
| 298 | N | C | -2.1728 | |
| 299 | A | C | -1.8751 | |
| 300 | K | C | -2.3608 | |
| 301 | T | C | -1.7885 | |
| 302 | K | C | -1.9396 | |
| 303 | P | C | -2.0004 | |
| 304 | R | C | -2.9432 | |
| 305 | E | C | -2.7999 | |
| 306 | E | C | -2.2838 | |
| 307 | Q | C | -1.0993 | |
| 308 | Y | C | -0.2647 | |
| 309 | N | C | -0.7365 | |
| 310 | S | C | -0.6753 | |
| 311 | T | C | -1.4173 | |
| 312 | Y | C | 0.0000 | |
| 313 | R | C | -1.8194 | |
| 314 | V | C | 0.0000 | |
| 315 | V | C | 0.0000 | |
| 316 | S | C | 0.0000 | |
| 317 | V | C | 0.0000 | |
| 318 | L | C | 0.0000 | |
| 319 | T | C | -0.8198 | |
| 320 | V | C | 0.0000 | |
| 321 | L | C | 0.2757 | |
| 322 | H | C | -0.3733 | |
| 323 | Q | C | -1.2235 | |
| 324 | D | C | -1.5974 | |
| 325 | W | C | 0.0000 | |
| 326 | L | C | -1.0110 | |
| 327 | N | C | -1.9297 | |
| 328 | G | C | -2.0729 | |
| 329 | K | C | -2.2811 | |
| 330 | E | C | -2.2394 | |
| 331 | Y | C | 0.0000 | |
| 332 | K | C | -1.2771 | |
| 333 | C | C | 0.0000 | |
| 334 | K | C | -0.9248 | |
| 335 | V | C | 0.0000 | |
| 336 | S | C | -1.2915 | |
| 337 | N | C | 0.0000 | |
| 338 | K | C | -2.5716 | |
| 339 | A | C | -1.5472 | |
| 340 | L | C | 0.0000 | |
| 341 | P | C | -0.9280 | |
| 342 | A | C | 0.0000 | |
| 343 | P | C | -0.7172 | |
| 344 | I | C | -0.0763 | |
| 345 | E | C | -0.7134 | |
| 346 | K | C | -0.6230 | |
| 347 | T | C | -0.7129 | |
| 348 | I | C | -0.2514 | |
| 349 | S | C | -1.2070 | |
| 350 | K | C | -1.3248 | |
| 351 | A | C | -1.1830 | |
| 352 | K | C | -2.2029 | |
| 353 | G | C | -1.9563 | |
| 354 | Q | C | -2.0990 | |
| 355 | P | C | -1.7130 | |
| 356 | R | C | -1.9727 | |
| 357 | E | C | -2.6129 | |
| 358 | P | C | 0.0000 | |
| 359 | Q | C | -1.3610 | |
| 360 | V | C | 0.0000 | |
| 361 | Y | C | 0.0000 | |
| 362 | T | C | -0.7017 | |
| 363 | L | C | 0.0000 | |
| 364 | P | C | -0.3798 | |
| 365 | P | C | -0.8403 | |
| 366 | S | C | -1.3846 | |
| 367 | R | C | -2.4782 | |
| 368 | E | C | -2.4255 | |
| 369 | E | C | 0.0000 | |
| 370 | M | C | -1.8821 | |
| 371 | T | C | -1.6564 | |
| 372 | K | C | -2.3516 | |
| 373 | N | C | -2.7038 | |
| 374 | Q | C | -2.5984 | |
| 375 | V | C | 0.0000 | |
| 376 | S | C | 0.0000 | |
| 377 | L | C | 0.0000 | |
| 378 | T | C | 0.0000 | |
| 379 | C | C | 0.0000 | |
| 380 | L | C | 0.0000 | |
| 381 | V | C | 0.0000 | |
| 382 | K | C | -0.5135 | |
| 383 | G | C | -0.9671 | |
| 384 | F | C | 0.0000 | |
| 385 | Y | C | -1.0055 | |
| 386 | P | C | 0.0000 | |
| 387 | S | C | -0.2218 | |
| 388 | D | C | -1.1983 | |
| 389 | I | C | 0.0000 | |
| 390 | A | C | -0.7176 | |
| 391 | V | C | 0.0000 | |
| 392 | E | C | -1.2685 | |
| 393 | W | C | 0.0000 | |
| 394 | E | C | -1.8671 | |
| 395 | S | C | 0.0000 | |
| 396 | N | C | -1.8345 | |
| 397 | G | C | -1.7716 | |
| 398 | Q | C | -2.3116 | |
| 399 | P | C | -1.9551 | |
| 400 | E | C | -1.8257 | |
| 401 | N | C | -1.9714 | |
| 402 | N | C | -1.2154 | |
| 403 | Y | C | -0.8700 | |
| 404 | K | C | -0.6244 | |
| 405 | T | C | -0.2201 | |
| 406 | T | C | 0.0000 | |
| 407 | P | C | -0.0740 | |
| 408 | P | C | 0.1326 | |
| 409 | V | C | 0.5916 | |
| 410 | L | C | 0.8422 | |
| 411 | D | C | -0.3694 | |
| 412 | S | C | -1.0323 | |
| 413 | D | C | -1.8402 | |
| 414 | G | C | -0.7790 | |
| 415 | S | C | 0.0000 | |
| 416 | F | C | 0.2074 | |
| 417 | F | C | 0.0000 | |
| 418 | L | C | 0.0000 | |
| 419 | Y | C | 0.0000 | |
| 420 | S | C | 0.0000 | |
| 421 | K | C | 0.0000 | |
| 422 | L | C | 0.0000 | |
| 423 | T | C | -0.9178 | |
| 424 | V | C | 0.0000 | |
| 425 | D | C | -2.6642 | |
| 426 | K | C | -2.8314 | |
| 427 | S | C | -2.3005 | |
| 428 | R | C | -2.0141 | |
| 429 | W | C | 0.0000 | |
| 430 | Q | C | -2.3943 | |
| 431 | Q | C | -2.1059 | |
| 432 | G | C | -1.1103 | |
| 433 | N | C | -0.6809 | |
| 434 | V | C | 0.3216 | |
| 435 | F | C | 0.0000 | |
| 436 | S | C | 0.0000 | |
| 437 | C | C | 0.0000 | |
| 438 | S | C | 0.0000 | |
| 439 | V | C | 0.0000 | |
| 440 | M | C | 0.0000 | |
| 441 | H | C | 0.0000 | |
| 442 | E | C | -1.1461 | |
| 443 | A | C | -1.5357 | |
| 444 | L | C | 0.0000 | |
| 445 | H | C | -1.8310 | |
| 446 | N | C | -1.7157 | |
| 447 | H | C | -1.2589 | |
| 448 | Y | C | -0.5426 | |
| 449 | T | C | -0.9418 | |
| 450 | Q | C | -1.5176 | |
| 451 | K | C | -1.3606 | |
| 452 | S | C | -0.6279 | |
| 453 | L | C | 0.0000 | |
| 454 | S | C | -0.0292 | |
| 455 | L | C | -0.3473 | |
| 456 | S | C | -0.6015 | |
| 457 | P | C | -1.2557 | |
| 458 | G | C | -1.4275 | |
| 459 | K | C | -2.0300 | |
| 1 | Q | D | -1.4481 | |
| 2 | V | D | -0.7785 | |
| 3 | Q | D | -0.8364 | |
| 4 | L | D | 0.0000 | |
| 5 | V | D | 0.4579 | |
| 6 | E | D | 0.0000 | |
| 7 | S | D | -0.5131 | |
| 8 | G | D | -0.8835 | |
| 9 | G | D | -0.4561 | |
| 10 | G | D | 0.0352 | |
| 11 | V | D | 0.2827 | |
| 12 | V | D | 0.0000 | |
| 13 | Q | D | -1.8684 | |
| 14 | P | D | -2.1282 | |
| 15 | G | D | -2.2066 | |
| 16 | R | D | -2.8086 | |
| 17 | S | D | -2.1348 | |
| 18 | L | D | -1.5034 | |
| 19 | R | D | -2.0955 | |
| 20 | L | D | 0.0000 | |
| 21 | S | D | -0.4889 | |
| 22 | C | D | 0.0000 | |
| 23 | A | D | -0.2770 | |
| 24 | A | D | 0.0000 | |
| 25 | S | D | -0.9086 | |
| 26 | G | D | -0.9925 | |
| 27 | F | D | -0.3509 | |
| 28 | T | D | -0.0302 | |
| 29 | F | D | 0.0000 | |
| 30 | S | D | -0.9067 | |
| 31 | T | D | -0.4237 | |
| 32 | Y | D | 0.0297 | |
| 33 | A | D | 0.0000 | |
| 34 | M | D | 0.0000 | |
| 35 | H | D | 0.0000 | |
| 36 | W | D | 0.0000 | |
| 37 | V | D | 0.0000 | |
| 38 | R | D | 0.0000 | |
| 39 | Q | D | -0.7726 | |
| 40 | A | D | -1.1657 | |
| 41 | P | D | -0.9499 | |
| 42 | G | D | -1.4511 | |
| 43 | K | D | -2.3201 | |
| 44 | G | D | -1.4708 | |
| 45 | L | D | 0.0000 | |
| 46 | E | D | -1.0112 | |
| 47 | W | D | 0.0000 | |
| 48 | V | D | 0.0000 | |
| 49 | A | D | 0.0000 | |
| 50 | V | D | 0.0000 | |
| 51 | I | D | 0.0000 | |
| 52 | S | D | 0.0000 | |
| 53 | Y | D | -0.9215 | |
| 54 | D | D | -1.9746 | |
| 55 | A | D | -1.3560 | |
| 56 | N | D | -1.4605 | |
| 57 | Y | D | -0.1387 | |
| 58 | K | D | -0.3773 | |
| 59 | Y | D | -0.0563 | |
| 60 | Y | D | -0.7657 | |
| 61 | A | D | -1.2907 | |
| 62 | D | D | -2.4385 | |
| 63 | S | D | -1.8068 | |
| 64 | V | D | 0.0000 | |
| 65 | K | D | -2.5374 | |
| 66 | G | D | -1.7585 | |
| 67 | R | D | -1.5307 | |
| 68 | F | D | 0.0000 | |
| 69 | T | D | -0.8786 | |
| 70 | I | D | 0.0000 | |
| 71 | S | D | -0.6095 | |
| 72 | R | D | 0.0000 | |
| 73 | D | D | -1.4735 | |
| 74 | N | D | -1.7059 | |
| 75 | S | D | -1.5271 | |
| 76 | K | D | -2.3318 | |
| 77 | N | D | -1.6892 | |
| 78 | T | D | -0.9820 | |
| 79 | L | D | 0.0000 | |
| 80 | Y | D | -0.4929 | |
| 81 | L | D | 0.0000 | |
| 82 | Q | D | -1.2498 | |
| 83 | M | D | 0.0000 | |
| 84 | N | D | -1.9408 | |
| 85 | S | D | -1.7780 | |
| 86 | L | D | 0.0000 | |
| 87 | R | D | -2.6410 | |
| 88 | A | D | -1.7415 | |
| 89 | E | D | -2.2812 | |
| 90 | D | D | 0.0000 | |
| 91 | T | D | -0.6998 | |
| 92 | A | D | 0.0000 | |
| 93 | V | D | 0.2611 | |
| 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 | S | D | 0.3164 | |
| 101 | Q | D | 0.0000 | |
| 102 | L | D | 0.6849 | |
| 103 | R | D | -0.9264 | |
| 104 | S | D | 0.0438 | |
| 105 | L | D | 1.1189 | |
| 106 | L | D | 0.0000 | |
| 107 | Y | D | 1.5638 | |
| 108 | F | D | 1.1927 | |
| 109 | E | D | -0.6775 | |
| 110 | W | D | 0.3930 | |
| 111 | L | D | 0.0000 | |
| 112 | S | D | 0.0000 | |
| 113 | Q | D | 0.0000 | |
| 114 | G | D | 0.0000 | |
| 115 | Y | D | 0.2372 | |
| 116 | F | D | 0.0000 | |
| 117 | D | D | -0.0740 | |
| 118 | Y | D | 0.3869 | |
| 119 | W | D | -0.0798 | |
| 120 | G | D | 0.0000 | |
| 121 | Q | D | -1.1931 | |
| 122 | G | D | 0.0000 | |
| 123 | T | D | -0.0374 | |
| 124 | L | D | 0.2010 | |
| 125 | V | D | 0.0000 | |
| 126 | T | D | 0.0000 | |
| 127 | V | D | 0.0000 | |
| 128 | S | D | -0.8487 | |
| 129 | S | D | -0.6132 | |
| 130 | A | D | -0.3164 | |
| 131 | S | D | -0.4967 | |
| 132 | T | D | -0.1009 | |
| 133 | K | D | -0.3006 | |
| 134 | G | D | 0.0000 | |
| 135 | P | D | 0.0000 | |
| 136 | S | D | -0.2158 | |
| 137 | V | D | 0.0000 | |
| 138 | F | D | 0.0000 | |
| 139 | P | D | -0.9733 | |
| 140 | L | D | 0.0000 | |
| 141 | A | D | -1.2315 | |
| 142 | P | D | 0.0000 | |
| 143 | S | D | -0.8204 | |
| 144 | S | D | -0.6309 | |
| 145 | K | D | -0.7409 | |
| 146 | S | D | 0.0000 | |
| 147 | T | D | -0.6122 | |
| 148 | S | D | -0.6605 | |
| 149 | G | D | -0.7988 | |
| 150 | G | D | -0.8681 | |
| 151 | T | D | -0.6070 | |
| 152 | A | D | 0.0000 | |
| 153 | A | D | 0.0000 | |
| 154 | L | D | 0.0000 | |
| 155 | G | D | 0.0000 | |
| 156 | C | D | 0.0000 | |
| 157 | L | D | 0.0000 | |
| 158 | V | D | 0.0000 | |
| 159 | K | D | 0.0000 | |
| 160 | D | D | -0.0885 | |
| 161 | Y | D | 0.0000 | |
| 162 | F | D | 0.0000 | |
| 163 | P | D | 0.0000 | |
| 164 | E | D | -0.4453 | |
| 165 | P | D | -0.7515 | |
| 166 | V | D | -0.6788 | |
| 167 | T | D | -0.5715 | |
| 168 | V | D | -0.1417 | |
| 169 | S | D | -0.2353 | |
| 170 | W | D | 0.0000 | |
| 171 | N | D | -0.5404 | |
| 172 | S | D | -0.4422 | |
| 173 | G | D | -0.4302 | |
| 174 | A | D | -0.1586 | |
| 175 | L | D | 0.0099 | |
| 176 | T | D | -0.1352 | |
| 177 | S | D | -0.1730 | |
| 178 | G | D | -0.1971 | |
| 179 | V | D | 0.1716 | |
| 180 | H | D | -0.3173 | |
| 181 | T | D | -0.0018 | |
| 182 | F | D | 0.0000 | |
| 183 | P | D | -0.3065 | |
| 184 | A | D | 0.2415 | |
| 185 | V | D | 0.5829 | |
| 186 | L | D | 1.2151 | |
| 187 | Q | D | 0.3213 | |
| 188 | S | D | -0.0439 | |
| 189 | S | D | -0.1797 | |
| 190 | G | D | 0.0440 | |
| 191 | L | D | 0.2684 | |
| 192 | Y | D | 0.5267 | |
| 193 | S | D | 0.0000 | |
| 194 | L | D | 0.0000 | |
| 195 | S | D | 0.0000 | |
| 196 | S | D | 0.0000 | |
| 197 | V | D | 0.0000 | |
| 198 | V | D | 0.0000 | |
| 199 | T | D | -0.1322 | |
| 200 | V | D | 0.0000 | |
| 201 | P | D | -0.6149 | |
| 202 | S | D | -0.5881 | |
| 203 | S | D | -0.5889 | |
| 204 | S | D | -0.5649 | |
| 205 | L | D | -0.8000 | |
| 206 | G | D | -0.9482 | |
| 207 | T | D | -0.6677 | |
| 208 | Q | D | -1.1651 | |
| 209 | T | D | -1.0482 | |
| 210 | Y | D | 0.0000 | |
| 211 | I | D | 0.0000 | |
| 212 | C | D | 0.0000 | |
| 213 | N | D | -0.8671 | |
| 214 | V | D | 0.0000 | |
| 215 | N | D | -1.6642 | |
| 216 | H | D | 0.0000 | |
| 217 | K | D | -2.6746 | |
| 218 | P | D | -1.2482 | |
| 219 | S | D | 0.0000 | |
| 220 | N | D | -2.3355 | |
| 221 | T | D | 0.0000 | |
| 222 | K | D | -2.3633 | |
| 223 | V | D | -0.8956 | |
| 224 | D | D | -1.0137 | |
| 225 | K | D | -1.2692 | |
| 226 | R | D | -1.6753 | |
| 227 | V | D | 0.0000 | |
| 228 | E | D | -2.7278 | |
| 229 | P | D | -1.8186 | |
| 230 | K | D | -2.2601 | |
| 231 | S | D | -1.7079 | |
| 232 | C | D | -1.2740 | |
| 233 | D | D | -2.6867 | |
| 234 | K | D | -2.6186 | |
| 235 | T | D | -1.9149 | |
| 236 | H | D | -1.9993 | |
| 237 | T | D | -1.3034 | |
| 238 | C | D | -0.6383 | |
| 239 | P | D | -0.6492 | |
| 240 | P | D | -0.2359 | |
| 241 | C | D | -0.2621 | |
| 242 | P | D | -0.5969 | |
| 243 | A | D | -0.6807 | |
| 244 | P | D | -0.9385 | |
| 245 | E | D | -1.2296 | |
| 246 | L | D | -0.0822 | |
| 247 | L | D | 0.6122 | |
| 248 | G | D | 0.1050 | |
| 249 | G | D | -0.1442 | |
| 250 | P | D | 0.0000 | |
| 251 | S | D | 0.1807 | |
| 252 | V | D | 0.0000 | |
| 253 | F | D | 1.4644 | |
| 254 | L | D | 1.1402 | |
| 255 | F | D | 1.2113 | |
| 256 | P | D | -0.1724 | |
| 257 | P | D | 0.0000 | |
| 258 | K | D | -2.1726 | |
| 259 | P | D | -1.4332 | |
| 260 | K | D | -1.4126 | |
| 261 | D | D | -1.4462 | |
| 262 | T | D | 0.0000 | |
| 263 | L | D | 0.0000 | |
| 264 | M | D | 0.1385 | |
| 265 | I | D | 1.3119 | |
| 266 | S | D | -0.1130 | |
| 267 | R | D | -1.5903 | |
| 268 | T | D | -0.9470 | |
| 269 | P | D | 0.0000 | |
| 270 | E | D | -1.3332 | |
| 271 | V | D | 0.0000 | |
| 272 | T | D | 0.1656 | |
| 273 | C | D | 0.0000 | |
| 274 | V | D | 0.0000 | |
| 275 | V | D | 0.0000 | |
| 276 | V | D | -0.6605 | |
| 277 | D | D | -0.9698 | |
| 278 | V | D | 0.0000 | |
| 279 | S | D | -1.9160 | |
| 280 | H | D | -2.7767 | |
| 281 | E | D | -3.3664 | |
| 282 | D | D | -2.5762 | |
| 283 | P | D | -2.6249 | |
| 284 | E | D | -3.0795 | |
| 285 | V | D | -2.0124 | |
| 286 | K | D | -2.2087 | |
| 287 | F | D | -1.2148 | |
| 288 | N | D | -0.9471 | |
| 289 | W | D | 0.0000 | |
| 290 | Y | D | -0.5928 | |
| 291 | V | D | -0.8961 | |
| 292 | D | D | -2.1835 | |
| 293 | G | D | -0.9038 | |
| 294 | V | D | 0.5656 | |
| 295 | E | D | -0.6796 | |
| 296 | V | D | -0.5509 | |
| 297 | H | D | -1.8844 | |
| 298 | N | D | -2.1770 | |
| 299 | A | D | -1.8805 | |
| 300 | K | D | -2.3693 | |
| 301 | T | D | -1.8212 | |
| 302 | K | D | -1.9908 | |
| 303 | P | D | -2.1304 | |
| 304 | R | D | -3.2054 | |
| 305 | E | D | -3.1412 | |
| 306 | E | D | -3.1410 | |
| 307 | Q | D | -1.5832 | |
| 308 | Y | D | -0.4266 | |
| 309 | N | D | -1.2059 | |
| 310 | S | D | -1.0320 | |
| 311 | T | D | -1.7341 | |
| 312 | Y | D | -2.3081 | |
| 313 | R | D | -1.9810 | |
| 314 | V | D | 0.0000 | |
| 315 | V | D | 0.0000 | |
| 316 | S | D | 0.0000 | |
| 317 | V | D | 0.0000 | |
| 318 | L | D | 0.0000 | |
| 319 | T | D | -0.7841 | |
| 320 | V | D | 0.0000 | |
| 321 | L | D | 0.4630 | |
| 322 | H | D | -0.2812 | |
| 323 | Q | D | -1.0983 | |
| 324 | D | D | -1.4044 | |
| 325 | W | D | 0.0000 | |
| 326 | L | D | -0.9303 | |
| 327 | N | D | -1.8378 | |
| 328 | G | D | -2.0097 | |
| 329 | K | D | -2.1867 | |
| 330 | E | D | -2.2037 | |
| 331 | Y | D | 0.0000 | |
| 332 | K | D | -1.2348 | |
| 333 | C | D | 0.0000 | |
| 334 | K | D | -0.8466 | |
| 335 | V | D | 0.0000 | |
| 336 | S | D | -1.2752 | |
| 337 | N | D | 0.0000 | |
| 338 | K | D | -2.5566 | |
| 339 | A | D | -1.5152 | |
| 340 | L | D | 0.0000 | |
| 341 | P | D | -0.8899 | |
| 342 | A | D | 0.0000 | |
| 343 | P | D | -0.6624 | |
| 344 | I | D | -0.0412 | |
| 345 | E | D | -0.6424 | |
| 346 | K | D | -0.5063 | |
| 347 | T | D | -0.6545 | |
| 348 | I | D | -0.1982 | |
| 349 | S | D | -1.1723 | |
| 350 | K | D | -1.2748 | |
| 351 | A | D | -1.1731 | |
| 352 | K | D | -2.2014 | |
| 353 | G | D | -1.9549 | |
| 354 | Q | D | -2.0975 | |
| 355 | P | D | -1.6983 | |
| 356 | R | D | -1.9522 | |
| 357 | E | D | -2.5753 | |
| 358 | P | D | 0.0000 | |
| 359 | Q | D | -1.3282 | |
| 360 | V | D | 0.0000 | |
| 361 | Y | D | 0.0000 | |
| 362 | T | D | -0.6829 | |
| 363 | L | D | 0.0000 | |
| 364 | P | D | -0.3807 | |
| 365 | P | D | -0.8445 | |
| 366 | S | D | -1.4555 | |
| 367 | R | D | -2.5853 | |
| 368 | E | D | -2.6411 | |
| 369 | E | D | 0.0000 | |
| 370 | M | D | -1.9043 | |
| 371 | T | D | -1.6724 | |
| 372 | K | D | -2.2833 | |
| 373 | N | D | -2.5672 | |
| 374 | Q | D | -2.3276 | |
| 375 | V | D | 0.0000 | |
| 376 | S | D | 0.0000 | |
| 377 | L | D | 0.0000 | |
| 378 | T | D | 0.0000 | |
| 379 | C | D | 0.0000 | |
| 380 | L | D | 0.0000 | |
| 381 | V | D | 0.0000 | |
| 382 | K | D | -0.4921 | |
| 383 | G | D | -0.9406 | |
| 384 | F | D | 0.0000 | |
| 385 | Y | D | -0.9762 | |
| 386 | P | D | 0.0000 | |
| 387 | S | D | -0.1596 | |
| 388 | D | D | -1.1374 | |
| 389 | I | D | 0.0000 | |
| 390 | A | D | -0.6584 | |
| 391 | V | D | 0.0000 | |
| 392 | E | D | -1.0481 | |
| 393 | W | D | 0.0000 | |
| 394 | E | D | -1.6269 | |
| 395 | S | D | 0.0000 | |
| 396 | N | D | -1.8834 | |
| 397 | G | D | -1.7475 | |
| 398 | Q | D | -2.2457 | |
| 399 | P | D | -1.8485 | |
| 400 | E | D | -1.7203 | |
| 401 | N | D | -1.9052 | |
| 402 | N | D | -1.1750 | |
| 403 | Y | D | -0.7984 | |
| 404 | K | D | -0.6250 | |
| 405 | T | D | -0.2199 | |
| 406 | T | D | 0.0000 | |
| 407 | P | D | -0.0412 | |
| 408 | P | D | 0.2008 | |
| 409 | V | D | 0.7218 | |
| 410 | L | D | 1.1119 | |
| 411 | D | D | -0.2570 | |
| 412 | S | D | -0.9857 | |
| 413 | D | D | -1.8004 | |
| 414 | G | D | -0.7108 | |
| 415 | S | D | 0.0000 | |
| 416 | F | D | 0.3146 | |
| 417 | F | D | 0.0000 | |
| 418 | L | D | 0.0000 | |
| 419 | Y | D | 0.0000 | |
| 420 | S | D | 0.0000 | |
| 421 | K | D | 0.0000 | |
| 422 | L | D | 0.0000 | |
| 423 | T | D | -0.8360 | |
| 424 | V | D | 0.0000 | |
| 425 | D | D | -2.5648 | |
| 426 | K | D | -2.7435 | |
| 427 | S | D | -2.2916 | |
| 428 | R | D | -2.0783 | |
| 429 | W | D | 0.0000 | |
| 430 | Q | D | -2.4452 | |
| 431 | Q | D | -2.2157 | |
| 432 | G | D | -1.3196 | |
| 433 | N | D | -1.0058 | |
| 434 | V | D | -0.0545 | |
| 435 | F | D | 0.0000 | |
| 436 | S | D | 0.0000 | |
| 437 | C | D | 0.0000 | |
| 438 | S | D | 0.0000 | |
| 439 | V | D | 0.0000 | |
| 440 | M | D | 0.0000 | |
| 441 | H | D | 0.0000 | |
| 442 | E | D | -1.1324 | |
| 443 | A | D | -1.4759 | |
| 444 | L | D | -1.4071 | |
| 445 | H | D | -1.7580 | |
| 446 | N | D | -1.6826 | |
| 447 | H | D | -1.2264 | |
| 448 | Y | D | -0.3659 | |
| 449 | T | D | -0.6563 | |
| 450 | Q | D | -0.9844 | |
| 451 | K | D | -1.1456 | |
| 452 | S | D | -0.5841 | |
| 453 | L | D | 0.0000 | |
| 454 | S | D | -0.2232 | |
| 455 | L | D | -0.4489 | |
| 456 | S | D | -0.6432 | |
| 457 | P | D | -1.2661 | |
| 458 | G | D | -1.4288 | |
| 459 | K | D | -2.0299 |
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 | -0.6571 | 4.7844 | View | CSV | PDB |
| 4.5 | -0.7089 | 4.7545 | View | CSV | PDB |
| 5.0 | -0.7694 | 4.7177 | View | CSV | PDB |
| 5.5 | -0.826 | 4.6799 | View | CSV | PDB |
| 6.0 | -0.8656 | 4.647 | View | CSV | PDB |
| 6.5 | -0.8789 | 4.6245 | View | CSV | PDB |
| 7.0 | -0.8669 | 4.6131 | View | CSV | PDB |
| 7.5 | -0.8395 | 4.6087 | View | CSV | PDB |
| 8.0 | -0.804 | 4.6072 | View | CSV | PDB |
| 8.5 | -0.7626 | 4.6067 | View | CSV | PDB |
| 9.0 | -0.715 | 4.6065 | 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