| Chain sequence(s) |
A: NPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLQIKESLRAELRVT
C: DIVMTQSPDSLAVSLGERATINCKSSESVSNDVAWYQQKPGQPPKLLINYAFHRFTGVPDRFSGSGYGTDFTLTISSLQAEDVAVYYCHQAYSSPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE B: QVQLQESGPGLVKPSETLSLTCTVSGFSLTSYGVHWIRQPPGKGLEWIGVIYADGSTNYNPSLKSRVTISKDTSKNQVSLKLSSVTAADTAVYYCARAYGNYWYIDVWGQGTTVTVSSASTKGPSVFPLAPTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKY H: QVQLQESGPGLVKPSETLSLTCTVSGFSLTSYGVHWIRQPPGKGLEWIGVIYADGSTNYNPSLKSRVTISKDTSKNQVSLKLSSVTAADTAVYYCARAYGNYWYIDVWGQGTTVTVSSASTKGPSVFPLAPCAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESK L: DIVMTQSPDSLAVSLGERATINCKSSESVSNDVAWYQQKPGQPPKLLINYAFHRFTGVPDRFSGSGYGTDFTLTISSLQAEDVAVYYCHQAYSSPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR P: NPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSSRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAIQIKESLRAELRVTE input PDB |
| Selected Chain(s) | A,C,B,H,L,P |
| 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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:09:30)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ea519c251cbd0f4/tmp/folded.pdb (00:09:30)
[INFO] Main: Simulation completed successfully. (00:14:13)
|
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 |
|---|---|---|---|---|
| 33 | N | A | -1.8768 | |
| 34 | P | A | -1.6339 | |
| 35 | P | A | 0.0000 | |
| 36 | T | A | -0.6415 | |
| 37 | F | A | 0.0000 | |
| 38 | S | A | -0.0898 | |
| 39 | P | A | 0.1877 | |
| 40 | A | A | 0.0000 | |
| 41 | L | A | 0.8233 | |
| 42 | L | A | 0.9208 | |
| 43 | V | A | 1.2950 | |
| 44 | V | A | -0.5452 | |
| 45 | T | A | -2.0208 | |
| 46 | E | A | -3.9717 | |
| 47 | G | A | -3.5501 | |
| 48 | D | A | -3.2966 | |
| 49 | N | A | -3.0431 | |
| 50 | A | A | 0.0000 | |
| 51 | T | A | -0.5451 | |
| 52 | F | A | 0.0000 | |
| 53 | T | A | -0.5299 | |
| 54 | C | A | 0.0000 | |
| 55 | S | A | -1.0980 | |
| 56 | F | A | 0.0000 | |
| 57 | S | A | -1.9041 | |
| 58 | N | A | -1.7290 | |
| 59 | T | A | -1.0996 | |
| 60 | S | A | -1.1141 | |
| 61 | E | A | -2.1858 | |
| 62 | S | A | -0.7600 | |
| 63 | F | A | -0.0750 | |
| 64 | V | A | 0.0000 | |
| 65 | L | A | 0.0000 | |
| 66 | N | A | 0.0000 | |
| 67 | W | A | 0.0000 | |
| 68 | Y | A | 0.0000 | |
| 69 | R | A | -0.6238 | |
| 70 | M | A | 0.0000 | |
| 71 | S | A | -0.4834 | |
| 72 | P | A | -0.5954 | |
| 73 | S | A | -0.5864 | |
| 74 | N | A | -0.8158 | |
| 75 | Q | A | -0.6184 | |
| 76 | T | A | 0.0000 | |
| 77 | D | A | 0.0000 | |
| 78 | K | A | 0.0000 | |
| 79 | L | A | 0.0000 | |
| 80 | A | A | -1.2605 | |
| 81 | A | A | 0.0000 | |
| 82 | F | A | -0.8835 | |
| 83 | P | A | -1.2541 | |
| 84 | E | A | -2.6931 | |
| 85 | D | A | -1.9743 | |
| 86 | R | A | -2.5800 | |
| 87 | S | A | -1.3171 | |
| 94 | R | A | -2.5782 | |
| 95 | F | A | -1.7294 | |
| 96 | R | A | -2.2923 | |
| 97 | V | A | -1.3268 | |
| 98 | T | A | -1.0344 | |
| 99 | Q | A | -1.2685 | |
| 100 | L | A | -1.0937 | |
| 101 | P | A | -1.2621 | |
| 102 | N | A | -2.1052 | |
| 103 | G | A | -2.0950 | |
| 104 | R | A | -2.8165 | |
| 105 | D | A | -1.7395 | |
| 106 | F | A | 0.0000 | |
| 107 | H | A | -0.8450 | |
| 108 | M | A | 0.0000 | |
| 109 | S | A | -1.4357 | |
| 110 | V | A | 0.0000 | |
| 111 | V | A | -2.6063 | |
| 112 | R | A | -4.0644 | |
| 113 | A | A | 0.0000 | |
| 114 | R | A | -4.3321 | |
| 115 | R | A | -4.2974 | |
| 116 | N | A | -3.1263 | |
| 117 | D | A | 0.0000 | |
| 118 | S | A | -1.7207 | |
| 119 | G | A | -1.0783 | |
| 120 | T | A | 0.0000 | |
| 121 | Y | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | C | A | 0.0000 | |
| 124 | G | A | 0.0000 | |
| 125 | A | A | 0.0000 | |
| 126 | I | A | 0.0000 | |
| 127 | S | A | -0.0978 | |
| 128 | L | A | 1.0970 | |
| 133 | Q | A | -0.9366 | |
| 134 | I | A | -1.0449 | |
| 135 | K | A | -2.3862 | |
| 136 | E | A | -2.4254 | |
| 137 | S | A | 0.0000 | |
| 138 | L | A | -0.1485 | |
| 139 | R | A | -0.2447 | |
| 140 | A | A | 0.0000 | |
| 141 | E | A | -0.0815 | |
| 142 | L | A | 0.0000 | |
| 143 | R | A | -1.3424 | |
| 144 | V | A | -1.9840 | |
| 145 | T | A | -1.2159 | |
| 1 | Q | B | -1.1692 | |
| 2 | V | B | -0.3297 | |
| 3 | Q | B | -1.2663 | |
| 4 | L | B | 0.0000 | |
| 5 | Q | B | -1.8499 | |
| 6 | E | B | 0.0000 | |
| 7 | S | B | -1.0410 | |
| 8 | G | B | -0.6767 | |
| 9 | P | B | -0.5907 | |
| 10 | G | B | -0.7694 | |
| 11 | L | B | -0.3046 | |
| 12 | V | B | 0.0000 | |
| 13 | K | B | -1.9046 | |
| 14 | P | B | -1.4842 | |
| 15 | S | B | -1.5664 | |
| 16 | E | B | -2.4531 | |
| 17 | T | B | -1.5875 | |
| 18 | L | B | 0.0000 | |
| 19 | S | B | -0.7932 | |
| 20 | L | B | 0.0000 | |
| 21 | T | B | -0.6353 | |
| 22 | C | B | 0.0000 | |
| 23 | T | B | -1.3987 | |
| 24 | V | B | 0.0000 | |
| 25 | S | B | -0.9522 | |
| 26 | G | B | -0.8077 | |
| 27 | F | B | -0.3198 | |
| 28 | S | B | -0.3028 | |
| 29 | L | B | 0.0000 | |
| 30 | T | B | -0.6108 | |
| 31 | S | B | -0.3046 | |
| 32 | Y | B | -0.0421 | |
| 33 | G | B | 0.0000 | |
| 34 | V | B | 0.0000 | |
| 35 | H | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | I | B | 0.0000 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | -1.0453 | |
| 40 | P | B | 0.0000 | |
| 41 | P | B | -1.0065 | |
| 42 | G | B | -1.4572 | |
| 43 | K | B | -2.4880 | |
| 44 | G | B | -1.8126 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -1.9854 | |
| 47 | W | B | 0.0000 | |
| 48 | I | B | 0.0000 | |
| 49 | G | B | 0.0000 | |
| 50 | V | B | 0.0000 | |
| 51 | I | B | 0.0000 | |
| 52 | Y | B | -0.4937 | |
| 53 | A | B | -0.9137 | |
| 54 | D | B | -1.9492 | |
| 55 | G | B | -1.4022 | |
| 56 | S | B | -0.9326 | |
| 57 | T | B | -0.6188 | |
| 58 | N | B | -0.7454 | |
| 59 | Y | B | -0.6582 | |
| 60 | N | B | -1.0765 | |
| 61 | P | B | -1.0670 | |
| 62 | S | B | -0.6897 | |
| 63 | L | B | -0.7591 | |
| 64 | K | B | -1.5321 | |
| 65 | S | B | -1.0195 | |
| 66 | R | B | -1.1335 | |
| 67 | V | B | 0.0000 | |
| 68 | T | B | -0.7654 | |
| 69 | I | B | 0.0000 | |
| 70 | S | B | -0.8246 | |
| 71 | K | B | -1.4792 | |
| 72 | D | B | -2.1648 | |
| 73 | T | B | -1.7094 | |
| 74 | S | B | -1.6614 | |
| 75 | K | B | -2.6196 | |
| 76 | N | B | -2.1314 | |
| 77 | Q | B | -1.8415 | |
| 78 | V | B | 0.0000 | |
| 79 | S | B | -0.6909 | |
| 80 | L | B | 0.0000 | |
| 81 | K | B | -1.0781 | |
| 82 | L | B | 0.0000 | |
| 83 | S | B | -1.1957 | |
| 84 | S | B | -1.2138 | |
| 85 | V | B | 0.0000 | |
| 86 | T | B | -0.6249 | |
| 87 | A | B | -0.1435 | |
| 88 | A | B | 0.0654 | |
| 89 | D | B | 0.0000 | |
| 90 | T | B | 0.0287 | |
| 91 | A | B | 0.0000 | |
| 92 | V | B | 0.0593 | |
| 93 | Y | B | 0.0000 | |
| 94 | Y | B | 0.0000 | |
| 95 | C | B | 0.0000 | |
| 96 | A | B | 0.0000 | |
| 97 | R | B | 0.0000 | |
| 98 | A | B | 0.0000 | |
| 99 | Y | B | -0.0390 | |
| 100 | G | B | -0.5964 | |
| 101 | N | B | -1.1912 | |
| 102 | Y | B | -0.4285 | |
| 103 | W | B | -0.1341 | |
| 104 | Y | B | 0.0000 | |
| 105 | I | B | 0.0000 | |
| 106 | D | B | 0.0000 | |
| 107 | V | B | -0.0038 | |
| 108 | W | B | 0.0000 | |
| 109 | G | B | 0.0000 | |
| 110 | Q | B | -1.9093 | |
| 111 | G | B | -1.0966 | |
| 112 | T | B | -0.7032 | |
| 113 | T | B | -0.2893 | |
| 114 | V | B | 0.0000 | |
| 115 | T | B | -0.1957 | |
| 116 | V | B | 0.0000 | |
| 117 | S | B | -0.5308 | |
| 118 | S | B | -0.6446 | |
| 119 | A | B | -0.4343 | |
| 120 | S | B | -0.5756 | |
| 121 | T | B | -0.6604 | |
| 122 | K | B | -1.2994 | |
| 123 | G | B | -1.6025 | |
| 124 | P | B | -0.7639 | |
| 125 | S | B | -0.4102 | |
| 126 | V | B | -0.4272 | |
| 127 | F | B | -0.2679 | |
| 128 | P | B | 0.0000 | |
| 129 | L | B | 0.0000 | |
| 130 | A | B | -1.2194 | |
| 131 | P | B | -0.8249 | |
| 140 | T | B | -0.2728 | |
| 141 | A | B | -0.1617 | |
| 142 | A | B | 0.0000 | |
| 143 | L | B | 0.0000 | |
| 144 | G | B | 0.0000 | |
| 145 | C | B | 0.0000 | |
| 146 | L | B | 0.0000 | |
| 147 | V | B | 0.0000 | |
| 148 | K | B | 0.0000 | |
| 149 | D | B | -0.7167 | |
| 150 | Y | B | 0.0000 | |
| 151 | F | B | -0.3046 | |
| 152 | P | B | 0.0000 | |
| 153 | E | B | -0.6176 | |
| 154 | P | B | -0.7292 | |
| 155 | V | B | 0.0000 | |
| 156 | T | B | -0.7856 | |
| 157 | V | B | 0.0000 | |
| 158 | S | B | -0.5635 | |
| 159 | W | B | 0.0000 | |
| 160 | N | B | -0.9580 | |
| 161 | S | B | -0.7778 | |
| 162 | G | B | -0.6039 | |
| 163 | A | B | -0.2631 | |
| 164 | L | B | -0.1009 | |
| 165 | T | B | -0.1524 | |
| 166 | S | B | -0.3502 | |
| 167 | G | B | -0.2990 | |
| 168 | V | B | 0.2419 | |
| 169 | H | B | 0.0000 | |
| 170 | T | B | -0.1313 | |
| 171 | F | B | 0.0000 | |
| 172 | P | B | -0.3222 | |
| 173 | A | B | 0.4132 | |
| 174 | V | B | 0.5475 | |
| 175 | L | B | 1.4419 | |
| 176 | Q | B | 0.2921 | |
| 177 | S | B | -0.0773 | |
| 178 | S | B | -0.3063 | |
| 179 | G | B | -0.0281 | |
| 180 | L | B | 0.0887 | |
| 181 | Y | B | 0.4343 | |
| 182 | S | B | 0.0000 | |
| 183 | L | B | 0.0000 | |
| 184 | S | B | 0.0000 | |
| 185 | S | B | 0.0000 | |
| 186 | V | B | 0.0000 | |
| 187 | V | B | 0.0000 | |
| 188 | T | B | -0.0935 | |
| 189 | V | B | 0.0000 | |
| 190 | P | B | -0.4388 | |
| 191 | S | B | -0.4466 | |
| 192 | S | B | -0.6218 | |
| 193 | S | B | -0.7775 | |
| 194 | L | B | -0.9448 | |
| 195 | G | B | -1.1852 | |
| 196 | T | B | -0.9565 | |
| 197 | K | B | -1.7227 | |
| 198 | T | B | -1.4802 | |
| 199 | Y | B | 0.0000 | |
| 200 | T | B | -1.6793 | |
| 201 | C | B | 0.0000 | |
| 202 | N | B | -1.6704 | |
| 203 | V | B | 0.0000 | |
| 204 | D | B | -2.0660 | |
| 205 | H | B | 0.0000 | |
| 206 | K | B | -2.8230 | |
| 207 | P | B | -1.6410 | |
| 208 | S | B | -1.8557 | |
| 209 | N | B | -2.4622 | |
| 210 | T | B | -2.1386 | |
| 211 | K | B | -2.7700 | |
| 212 | V | B | -1.8368 | |
| 213 | D | B | -2.6923 | |
| 214 | K | B | -2.3024 | |
| 215 | R | B | -2.8617 | |
| 216 | V | B | 0.0000 | |
| 217 | E | B | -2.9649 | |
| 218 | S | B | -1.9238 | |
| 219 | K | B | -1.5612 | |
| 220 | Y | B | 0.0924 | |
| 1 | D | C | -1.6422 | |
| 2 | I | C | -0.5057 | |
| 3 | V | C | 0.4284 | |
| 4 | M | C | 0.0000 | |
| 5 | T | C | -0.7745 | |
| 6 | Q | C | 0.0000 | |
| 7 | S | C | -1.4070 | |
| 8 | P | C | -1.3390 | |
| 9 | D | C | -2.3677 | |
| 10 | S | C | -1.2954 | |
| 11 | L | C | -0.6627 | |
| 12 | A | C | -0.4465 | |
| 13 | V | C | -0.8167 | |
| 14 | S | C | -1.1780 | |
| 15 | L | C | -0.8303 | |
| 16 | G | C | -1.2332 | |
| 17 | E | C | -2.4207 | |
| 18 | R | C | -2.6455 | |
| 19 | A | C | 0.0000 | |
| 20 | T | C | -0.7931 | |
| 21 | I | C | 0.0000 | |
| 22 | N | C | -1.8016 | |
| 23 | C | C | 0.0000 | |
| 24 | K | C | -2.4071 | |
| 25 | S | C | 0.0000 | |
| 26 | S | C | -1.2953 | |
| 27 | E | C | -2.0665 | |
| 28 | S | C | -1.3970 | |
| 29 | V | C | 0.0000 | |
| 30 | S | C | -0.5539 | |
| 31 | N | C | 0.0000 | |
| 32 | D | C | 0.0000 | |
| 33 | V | C | 0.0000 | |
| 34 | A | C | 0.0000 | |
| 35 | W | C | 0.0000 | |
| 36 | Y | C | 0.0000 | |
| 37 | Q | C | -0.7263 | |
| 38 | Q | C | 0.0000 | |
| 39 | K | C | -1.3754 | |
| 40 | P | C | -1.1467 | |
| 41 | G | C | -1.4603 | |
| 42 | Q | C | -2.0256 | |
| 43 | P | C | -1.4134 | |
| 44 | P | C | 0.0000 | |
| 45 | K | C | -1.3235 | |
| 46 | L | C | 0.0000 | |
| 47 | L | C | 0.0000 | |
| 48 | I | C | 0.0000 | |
| 49 | N | C | 0.0000 | |
| 50 | Y | C | 0.0000 | |
| 51 | A | C | 0.0000 | |
| 52 | F | C | -0.3381 | |
| 53 | H | C | -0.5889 | |
| 54 | R | C | -1.1722 | |
| 55 | F | C | -0.7167 | |
| 56 | T | C | -0.7078 | |
| 57 | G | C | -0.8578 | |
| 58 | V | C | 0.0000 | |
| 59 | P | C | -1.2201 | |
| 60 | D | C | -2.2556 | |
| 61 | R | C | 0.0000 | |
| 62 | F | C | 0.0000 | |
| 63 | S | C | -0.6893 | |
| 64 | G | C | 0.0000 | |
| 65 | S | C | -0.5203 | |
| 66 | G | C | -0.7641 | |
| 67 | Y | C | -0.1511 | |
| 68 | G | C | -1.0397 | |
| 69 | T | C | -2.0046 | |
| 70 | D | C | -2.5622 | |
| 71 | F | C | 0.0000 | |
| 72 | T | C | -0.9775 | |
| 73 | L | C | 0.0000 | |
| 74 | T | C | -0.6344 | |
| 75 | I | C | 0.0000 | |
| 76 | S | C | -1.6553 | |
| 77 | S | C | -1.6224 | |
| 78 | L | C | 0.0000 | |
| 79 | Q | C | 0.0000 | |
| 80 | A | C | -1.4081 | |
| 81 | E | C | -1.8078 | |
| 82 | D | C | 0.0000 | |
| 83 | V | C | 0.0000 | |
| 84 | A | C | 0.0000 | |
| 85 | V | C | -0.5600 | |
| 86 | Y | C | 0.0000 | |
| 87 | Y | C | 0.0000 | |
| 88 | C | C | 0.0000 | |
| 89 | H | C | 0.0000 | |
| 90 | Q | C | 0.0000 | |
| 91 | A | C | 0.0000 | |
| 92 | Y | C | -0.2226 | |
| 93 | S | C | -0.5232 | |
| 94 | S | C | -0.6427 | |
| 95 | P | C | 0.0000 | |
| 96 | Y | C | 0.0000 | |
| 97 | T | C | -0.4911 | |
| 98 | F | C | 0.0000 | |
| 99 | G | C | -0.7612 | |
| 100 | Q | C | -1.9332 | |
| 101 | G | C | 0.0000 | |
| 102 | T | C | 0.0000 | |
| 103 | K | C | -1.3985 | |
| 104 | L | C | 0.0000 | |
| 105 | E | C | -0.8965 | |
| 106 | I | C | 0.0000 | |
| 107 | K | C | -1.4281 | |
| 108 | R | C | -0.8310 | |
| 109 | T | C | -0.3801 | |
| 110 | V | C | 0.4766 | |
| 111 | A | C | 0.2183 | |
| 112 | A | C | -0.0892 | |
| 113 | P | C | 0.0000 | |
| 114 | S | C | -0.1185 | |
| 115 | V | C | 0.0000 | |
| 116 | F | C | 0.1830 | |
| 117 | I | C | 0.1615 | |
| 118 | F | C | 0.0000 | |
| 119 | P | C | -0.4647 | |
| 120 | P | C | -0.8047 | |
| 121 | S | C | -1.7026 | |
| 122 | D | C | -2.8059 | |
| 123 | E | C | -2.6185 | |
| 124 | Q | C | 0.0000 | |
| 125 | L | C | -2.2415 | |
| 126 | K | C | -2.7760 | |
| 127 | S | C | -1.7070 | |
| 128 | G | C | -1.1875 | |
| 129 | T | C | -0.8490 | |
| 130 | A | C | 0.0000 | |
| 131 | S | C | 0.0000 | |
| 132 | V | C | 0.0000 | |
| 133 | V | C | 0.0000 | |
| 134 | C | C | 0.0000 | |
| 135 | L | C | 0.0000 | |
| 136 | L | C | 0.0000 | |
| 137 | N | C | 0.0000 | |
| 138 | N | C | -0.8179 | |
| 139 | F | C | 0.0000 | |
| 140 | Y | C | 0.0000 | |
| 141 | P | C | -1.7355 | |
| 142 | R | C | -3.1211 | |
| 143 | E | C | -3.2467 | |
| 144 | A | C | -2.4473 | |
| 145 | K | C | -2.7797 | |
| 146 | V | C | 0.0000 | |
| 147 | Q | C | -0.7635 | |
| 148 | W | C | 0.0000 | |
| 149 | K | C | -0.5837 | |
| 150 | V | C | 0.0000 | |
| 151 | D | C | -1.9632 | |
| 152 | N | C | -1.3603 | |
| 153 | A | C | -0.2758 | |
| 154 | L | C | 0.7491 | |
| 155 | Q | C | -0.2381 | |
| 156 | S | C | -0.6132 | |
| 157 | G | C | -1.1659 | |
| 158 | N | C | -1.3721 | |
| 159 | S | C | -1.3704 | |
| 160 | Q | C | -1.4125 | |
| 161 | E | C | -2.1240 | |
| 162 | S | C | -0.9490 | |
| 163 | V | C | -0.8610 | |
| 164 | T | C | -0.6177 | |
| 165 | E | C | -1.2361 | |
| 166 | Q | C | 0.0000 | |
| 167 | D | C | -1.2659 | |
| 168 | S | C | -1.6492 | |
| 169 | K | C | -2.3309 | |
| 170 | D | C | -1.5206 | |
| 171 | S | C | 0.0000 | |
| 172 | T | C | 0.0000 | |
| 173 | Y | C | -0.9681 | |
| 174 | S | C | 0.0000 | |
| 175 | L | C | 0.0000 | |
| 176 | S | C | 0.0000 | |
| 177 | S | C | 0.0000 | |
| 178 | T | C | 0.0000 | |
| 179 | L | C | 0.0000 | |
| 180 | T | C | -0.4165 | |
| 181 | L | C | -0.7688 | |
| 182 | S | C | -1.3263 | |
| 183 | K | C | -2.2849 | |
| 184 | A | C | -2.1135 | |
| 185 | D | C | -2.8648 | |
| 186 | Y | C | 0.0000 | |
| 187 | E | C | -3.8725 | |
| 188 | K | C | -3.8885 | |
| 189 | H | C | -3.3091 | |
| 190 | K | C | -3.0339 | |
| 191 | V | C | -1.2895 | |
| 192 | Y | C | 0.0000 | |
| 193 | A | C | 0.0000 | |
| 194 | C | C | 0.0000 | |
| 195 | E | C | -0.9852 | |
| 196 | V | C | 0.0000 | |
| 197 | T | C | -1.2291 | |
| 198 | H | C | 0.0000 | |
| 199 | Q | C | -1.8029 | |
| 200 | G | C | -0.5107 | |
| 201 | L | C | -0.2556 | |
| 202 | S | C | -0.4603 | |
| 203 | S | C | -0.4042 | |
| 204 | P | C | -0.5240 | |
| 205 | V | C | 0.0844 | |
| 206 | T | C | -0.4234 | |
| 207 | K | C | -0.6372 | |
| 208 | S | C | -0.4280 | |
| 209 | F | C | -0.8204 | |
| 210 | N | C | -1.7516 | |
| 211 | R | C | -2.4206 | |
| 212 | G | C | -1.8380 | |
| 213 | E | C | -2.1011 | |
| 33 | N | P | -1.7557 | |
| 34 | P | P | -1.3409 | |
| 35 | P | P | 0.0000 | |
| 36 | T | P | -0.4465 | |
| 37 | F | P | 0.0000 | |
| 38 | S | P | -0.2983 | |
| 39 | P | P | -0.1973 | |
| 40 | A | P | -0.2768 | |
| 41 | L | P | 0.0000 | |
| 42 | L | P | 0.3472 | |
| 43 | V | P | 0.3533 | |
| 44 | V | P | -0.6642 | |
| 45 | T | P | -1.8842 | |
| 46 | E | P | -3.3438 | |
| 47 | G | P | -2.9256 | |
| 48 | D | P | -3.2829 | |
| 49 | N | P | -2.6449 | |
| 50 | A | P | 0.0000 | |
| 51 | T | P | -0.6768 | |
| 52 | F | P | 0.0000 | |
| 53 | T | P | -0.5580 | |
| 54 | C | P | 0.0000 | |
| 55 | S | P | -0.9398 | |
| 56 | F | P | 0.0000 | |
| 57 | S | P | -1.7345 | |
| 58 | N | P | -1.7013 | |
| 59 | T | P | -1.1110 | |
| 60 | S | P | -1.2901 | |
| 61 | E | P | -2.3703 | |
| 62 | S | P | -1.0950 | |
| 63 | F | P | -0.3278 | |
| 64 | V | P | 0.0000 | |
| 65 | L | P | 0.0000 | |
| 66 | N | P | 0.0000 | |
| 67 | W | P | 0.0000 | |
| 68 | Y | P | 0.0000 | |
| 69 | R | P | -0.6540 | |
| 70 | M | P | -0.6184 | |
| 71 | S | P | -0.6224 | |
| 72 | P | P | -0.6409 | |
| 73 | S | P | -1.0152 | |
| 74 | N | P | -1.3225 | |
| 75 | Q | P | -0.7586 | |
| 76 | T | P | 0.0000 | |
| 77 | D | P | 0.0000 | |
| 78 | K | P | 0.0000 | |
| 79 | L | P | 0.0000 | |
| 80 | A | P | 0.0000 | |
| 81 | A | P | 0.0000 | |
| 82 | F | P | -1.0708 | |
| 83 | P | P | -1.3352 | |
| 84 | E | P | -2.8203 | |
| 85 | D | P | -2.2318 | |
| 86 | R | P | -2.6193 | |
| 87 | S | P | -1.3454 | |
| 93 | S | P | -0.7199 | |
| 94 | R | P | -1.0548 | |
| 95 | F | P | -1.0500 | |
| 96 | R | P | -1.9505 | |
| 97 | V | P | 0.0000 | |
| 98 | T | P | -1.0522 | |
| 99 | Q | P | -1.1107 | |
| 100 | L | P | -0.9945 | |
| 101 | P | P | -1.1880 | |
| 102 | N | P | -2.0062 | |
| 103 | G | P | -1.9839 | |
| 104 | R | P | -2.7144 | |
| 105 | D | P | -1.6183 | |
| 106 | F | P | 0.0000 | |
| 107 | H | P | -0.8581 | |
| 108 | M | P | 0.0000 | |
| 109 | S | P | -1.0529 | |
| 110 | V | P | 0.0000 | |
| 111 | V | P | -1.7907 | |
| 112 | R | P | -3.3181 | |
| 113 | A | P | 0.0000 | |
| 114 | R | P | -4.2064 | |
| 115 | R | P | -4.1184 | |
| 116 | N | P | -2.8520 | |
| 117 | D | P | 0.0000 | |
| 118 | S | P | -1.1452 | |
| 119 | G | P | -0.4611 | |
| 120 | T | P | -0.4274 | |
| 121 | Y | P | 0.0000 | |
| 122 | L | P | 0.0000 | |
| 123 | C | P | 0.0000 | |
| 124 | G | P | 0.0000 | |
| 125 | A | P | 0.0000 | |
| 126 | I | P | -0.0094 | |
| 133 | Q | P | -1.1824 | |
| 134 | I | P | -0.6734 | |
| 135 | K | P | -1.6863 | |
| 136 | E | P | -1.5141 | |
| 137 | S | P | 0.0000 | |
| 138 | L | P | -0.3387 | |
| 139 | R | P | -0.7778 | |
| 140 | A | P | 0.0000 | |
| 141 | E | P | 0.0000 | |
| 142 | L | P | 0.0000 | |
| 143 | R | P | 0.0000 | |
| 144 | V | P | 0.0000 | |
| 145 | T | P | -1.5509 | |
| 146 | E | P | -2.3051 | |
| 1 | Q | H | -1.5022 | |
| 2 | V | H | -0.9520 | |
| 3 | Q | H | -1.7503 | |
| 4 | L | H | 0.0000 | |
| 5 | Q | H | -1.9620 | |
| 6 | E | H | -1.4276 | |
| 7 | S | H | -0.9974 | |
| 8 | G | H | -0.8872 | |
| 9 | P | H | -0.6241 | |
| 10 | G | H | 0.0000 | |
| 11 | L | H | -0.3505 | |
| 12 | V | H | 0.0000 | |
| 13 | K | H | -2.2977 | |
| 14 | P | H | -1.6100 | |
| 15 | S | H | -1.5026 | |
| 16 | E | H | -2.1422 | |
| 17 | T | H | -1.5289 | |
| 18 | L | H | 0.0000 | |
| 19 | S | H | -0.9346 | |
| 20 | L | H | 0.0000 | |
| 21 | T | H | -0.8120 | |
| 22 | C | H | 0.0000 | |
| 23 | T | H | -1.4597 | |
| 24 | V | H | 0.0000 | |
| 25 | S | H | -1.3759 | |
| 26 | G | H | -1.2006 | |
| 27 | F | H | 0.0000 | |
| 28 | S | H | -0.3998 | |
| 29 | L | H | 0.0000 | |
| 30 | T | H | -0.5319 | |
| 31 | S | H | -0.3686 | |
| 32 | Y | H | -0.1624 | |
| 33 | G | H | 0.0000 | |
| 34 | V | H | 0.0000 | |
| 35 | H | H | 0.0000 | |
| 36 | W | H | 0.0000 | |
| 37 | I | H | 0.0000 | |
| 38 | R | H | 0.0000 | |
| 39 | Q | H | -0.7879 | |
| 40 | P | H | -0.8852 | |
| 41 | P | H | -1.0125 | |
| 42 | G | H | -1.5062 | |
| 43 | K | H | -2.2905 | |
| 44 | G | H | -1.4440 | |
| 45 | L | H | 0.0000 | |
| 46 | E | H | -0.8561 | |
| 47 | W | H | 0.0000 | |
| 48 | I | H | 0.0000 | |
| 49 | G | H | 0.0000 | |
| 50 | V | H | 0.0000 | |
| 51 | I | H | 0.0000 | |
| 52 | Y | H | -0.4234 | |
| 53 | A | H | -0.8720 | |
| 54 | D | H | -1.8627 | |
| 55 | G | H | -1.2244 | |
| 56 | S | H | -0.7697 | |
| 57 | T | H | -0.3305 | |
| 58 | N | H | -0.7567 | |
| 59 | Y | H | -0.8610 | |
| 60 | N | H | -1.1571 | |
| 61 | P | H | -1.2774 | |
| 62 | S | H | -0.8404 | |
| 63 | L | H | 0.0000 | |
| 64 | K | H | -2.1155 | |
| 65 | S | H | -1.3025 | |
| 66 | R | H | -1.4494 | |
| 67 | V | H | 0.0000 | |
| 68 | T | H | -0.9583 | |
| 69 | I | H | 0.0000 | |
| 70 | S | H | -0.8202 | |
| 71 | K | H | -1.2760 | |
| 72 | D | H | -1.6568 | |
| 73 | T | H | -1.4054 | |
| 74 | S | H | -1.5026 | |
| 75 | K | H | -2.4348 | |
| 76 | N | H | -1.9458 | |
| 77 | Q | H | -1.7820 | |
| 78 | V | H | 0.0000 | |
| 79 | S | H | -0.7584 | |
| 80 | L | H | 0.0000 | |
| 81 | K | H | -1.4392 | |
| 82 | L | H | 0.0000 | |
| 83 | S | H | -1.1751 | |
| 84 | S | H | -1.1694 | |
| 85 | V | H | 0.0000 | |
| 86 | T | H | -0.6491 | |
| 87 | A | H | -0.2071 | |
| 88 | A | H | 0.0593 | |
| 89 | D | H | 0.0000 | |
| 90 | T | H | 0.0319 | |
| 91 | A | H | 0.0000 | |
| 92 | V | H | 0.0180 | |
| 93 | Y | H | 0.0000 | |
| 94 | Y | H | 0.0000 | |
| 95 | C | H | 0.0000 | |
| 96 | A | H | 0.0000 | |
| 97 | R | H | 0.0000 | |
| 98 | A | H | 0.0000 | |
| 99 | Y | H | -0.0830 | |
| 100 | G | H | -0.6936 | |
| 101 | N | H | -1.2171 | |
| 102 | Y | H | -0.5290 | |
| 103 | W | H | 0.0000 | |
| 104 | Y | H | 0.0000 | |
| 105 | I | H | 0.0000 | |
| 106 | D | H | 0.0000 | |
| 107 | V | H | -0.1503 | |
| 108 | W | H | 0.0000 | |
| 109 | G | H | 0.0000 | |
| 110 | Q | H | -1.9198 | |
| 111 | G | H | -1.1597 | |
| 112 | T | H | -0.8067 | |
| 113 | T | H | -0.2414 | |
| 114 | V | H | 0.0000 | |
| 115 | T | H | 0.0000 | |
| 116 | V | H | 0.0000 | |
| 117 | S | H | -0.7657 | |
| 118 | S | H | -0.8380 | |
| 119 | A | H | -0.5515 | |
| 120 | S | H | -0.6491 | |
| 121 | T | H | -0.5738 | |
| 122 | K | H | -1.0034 | |
| 123 | G | H | -1.2938 | |
| 124 | P | H | 0.0000 | |
| 125 | S | H | -0.3770 | |
| 126 | V | H | 0.0000 | |
| 127 | F | H | 0.0000 | |
| 128 | P | H | -1.0967 | |
| 129 | L | H | 0.0000 | |
| 130 | A | H | -0.9722 | |
| 131 | P | H | 0.0000 | |
| 132 | C | H | 0.1959 | |
| 141 | A | H | 0.0641 | |
| 142 | A | H | 0.0000 | |
| 143 | L | H | 0.0000 | |
| 144 | G | H | 0.0000 | |
| 145 | C | H | 0.0000 | |
| 146 | L | H | 0.0000 | |
| 147 | V | H | 0.0000 | |
| 148 | K | H | 0.0000 | |
| 149 | D | H | -0.3206 | |
| 150 | Y | H | 0.0000 | |
| 151 | F | H | 0.0000 | |
| 152 | P | H | 0.0000 | |
| 153 | E | H | -0.4189 | |
| 154 | P | H | -0.7691 | |
| 155 | V | H | 0.0000 | |
| 156 | T | H | -0.6859 | |
| 157 | V | H | -0.4588 | |
| 158 | S | H | -0.4533 | |
| 159 | W | H | 0.0000 | |
| 160 | N | H | -1.0187 | |
| 161 | S | H | -0.7603 | |
| 162 | G | H | -0.5547 | |
| 163 | A | H | -0.2423 | |
| 164 | L | H | -0.0678 | |
| 165 | T | H | -0.1477 | |
| 166 | S | H | -0.4042 | |
| 167 | G | H | -0.4914 | |
| 168 | V | H | 0.2128 | |
| 169 | H | H | 0.0000 | |
| 170 | T | H | -0.1343 | |
| 171 | F | H | 0.0000 | |
| 172 | P | H | -0.4215 | |
| 173 | A | H | 0.2129 | |
| 174 | V | H | 0.5420 | |
| 175 | L | H | 1.1456 | |
| 176 | Q | H | 0.2321 | |
| 177 | S | H | -0.0702 | |
| 178 | S | H | -0.2060 | |
| 179 | G | H | 0.0687 | |
| 180 | L | H | 0.1870 | |
| 181 | Y | H | 0.5102 | |
| 182 | S | H | 0.0000 | |
| 183 | L | H | 0.0000 | |
| 184 | S | H | 0.0000 | |
| 185 | S | H | 0.0000 | |
| 186 | V | H | 0.0000 | |
| 187 | V | H | 0.0000 | |
| 188 | T | H | -0.1494 | |
| 189 | V | H | 0.0000 | |
| 190 | P | H | -0.3581 | |
| 191 | S | H | -0.3687 | |
| 192 | S | H | -0.5305 | |
| 193 | S | H | -0.6171 | |
| 194 | L | H | -0.6408 | |
| 195 | G | H | -0.7477 | |
| 196 | T | H | -0.9035 | |
| 197 | K | H | -1.7290 | |
| 198 | T | H | -1.5572 | |
| 199 | Y | H | 0.0000 | |
| 200 | T | H | 0.0000 | |
| 201 | C | H | 0.0000 | |
| 202 | N | H | -1.6033 | |
| 203 | V | H | 0.0000 | |
| 204 | D | H | -1.8816 | |
| 205 | H | H | 0.0000 | |
| 206 | K | H | -2.7458 | |
| 207 | P | H | -1.5621 | |
| 208 | S | H | -1.8152 | |
| 209 | N | H | -2.4338 | |
| 210 | T | H | -2.2057 | |
| 211 | K | H | -2.7427 | |
| 212 | V | H | -1.6718 | |
| 213 | D | H | -2.5952 | |
| 214 | K | H | -2.3621 | |
| 215 | R | H | -2.9259 | |
| 216 | V | H | 0.0000 | |
| 217 | E | H | -2.8168 | |
| 218 | S | H | -1.8343 | |
| 219 | K | H | -1.9913 | |
| 1 | D | L | -1.5304 | |
| 2 | I | L | -0.3335 | |
| 3 | V | L | 0.6768 | |
| 4 | M | L | 0.0000 | |
| 5 | T | L | -0.7025 | |
| 6 | Q | L | 0.0000 | |
| 7 | S | L | -1.2047 | |
| 8 | P | L | -1.3505 | |
| 9 | D | L | -2.3112 | |
| 10 | S | L | -1.5216 | |
| 11 | L | L | -0.7966 | |
| 12 | A | L | -0.7287 | |
| 13 | V | L | 0.0000 | |
| 14 | S | L | -1.2211 | |
| 15 | L | L | -0.6483 | |
| 16 | G | L | -1.3019 | |
| 17 | E | L | -2.3596 | |
| 18 | R | L | -2.5528 | |
| 19 | A | L | 0.0000 | |
| 20 | T | L | -0.6781 | |
| 21 | I | L | 0.0000 | |
| 22 | N | L | -0.9234 | |
| 23 | C | L | 0.0000 | |
| 24 | K | L | -1.9815 | |
| 25 | S | L | 0.0000 | |
| 26 | S | L | -1.1389 | |
| 27 | E | L | -2.1243 | |
| 28 | S | L | -1.1995 | |
| 29 | V | L | 0.0000 | |
| 30 | S | L | -0.2537 | |
| 31 | N | L | 0.0000 | |
| 32 | D | L | 0.0084 | |
| 33 | V | L | 0.0000 | |
| 34 | A | L | 0.0000 | |
| 35 | W | L | 0.0000 | |
| 36 | Y | L | 0.0000 | |
| 37 | Q | L | 0.0000 | |
| 38 | Q | L | 0.0000 | |
| 39 | K | L | -1.8345 | |
| 40 | P | L | -1.4288 | |
| 41 | G | L | -1.3999 | |
| 42 | Q | L | -2.0006 | |
| 43 | P | L | -1.4937 | |
| 44 | P | L | 0.0000 | |
| 45 | K | L | -1.7221 | |
| 46 | L | L | 0.0000 | |
| 47 | L | L | 0.0000 | |
| 48 | I | L | 0.0000 | |
| 49 | N | L | 0.0000 | |
| 50 | Y | L | 0.0000 | |
| 51 | A | L | 0.0000 | |
| 52 | F | L | -0.1182 | |
| 53 | H | L | -0.3495 | |
| 54 | R | L | -0.8362 | |
| 55 | F | L | -0.5712 | |
| 56 | T | L | -0.8666 | |
| 57 | G | L | -0.8750 | |
| 58 | V | L | 0.0000 | |
| 59 | P | L | -0.6544 | |
| 60 | D | L | -1.0612 | |
| 61 | R | L | -1.3030 | |
| 62 | F | L | 0.0000 | |
| 63 | S | L | -0.5390 | |
| 64 | G | L | -0.3472 | |
| 65 | S | L | -0.4239 | |
| 66 | G | L | -0.3435 | |
| 67 | Y | L | 0.3338 | |
| 68 | G | L | -0.6243 | |
| 69 | T | L | -1.3937 | |
| 70 | D | L | -1.6253 | |
| 71 | F | L | 0.0000 | |
| 72 | T | L | -0.5513 | |
| 73 | L | L | 0.0000 | |
| 74 | T | L | -0.6398 | |
| 75 | I | L | 0.0000 | |
| 76 | S | L | -1.6790 | |
| 77 | S | L | -1.7844 | |
| 78 | L | L | 0.0000 | |
| 79 | Q | L | -1.3178 | |
| 80 | A | L | -1.6984 | |
| 81 | E | L | -2.4735 | |
| 82 | D | L | 0.0000 | |
| 83 | V | L | -1.2696 | |
| 84 | A | L | 0.0000 | |
| 85 | V | L | -0.8877 | |
| 86 | Y | L | 0.0000 | |
| 87 | Y | L | 0.0000 | |
| 88 | C | L | 0.0000 | |
| 89 | H | L | 0.0000 | |
| 90 | Q | L | 0.0000 | |
| 91 | A | L | 0.0000 | |
| 92 | Y | L | -0.1948 | |
| 93 | S | L | -0.4569 | |
| 94 | S | L | -0.5874 | |
| 95 | P | L | 0.0000 | |
| 96 | Y | L | 0.0000 | |
| 97 | T | L | -0.1229 | |
| 98 | F | L | 0.0000 | |
| 99 | G | L | 0.0000 | |
| 100 | Q | L | -1.3334 | |
| 101 | G | L | 0.0000 | |
| 102 | T | L | 0.0000 | |
| 103 | K | L | -1.9529 | |
| 104 | L | L | 0.0000 | |
| 105 | E | L | -1.4269 | |
| 106 | I | L | 0.0000 | |
| 107 | K | L | -1.6131 | |
| 108 | R | L | -0.8858 | |
| 109 | T | L | 0.3181 | |
| 110 | V | L | 1.2965 | |
| 111 | A | L | 0.5516 | |
| 112 | A | L | 0.2029 | |
| 113 | P | L | 0.0000 | |
| 114 | S | L | -0.0651 | |
| 115 | V | L | 0.0000 | |
| 116 | F | L | 0.3026 | |
| 117 | I | L | 0.2544 | |
| 118 | F | L | 0.0000 | |
| 119 | P | L | -0.6286 | |
| 120 | P | L | -0.9766 | |
| 121 | S | L | -1.5417 | |
| 122 | D | L | -2.8277 | |
| 123 | E | L | -2.7743 | |
| 124 | Q | L | 0.0000 | |
| 125 | L | L | -2.1286 | |
| 126 | K | L | -2.8342 | |
| 127 | S | L | -1.7219 | |
| 128 | G | L | -1.2603 | |
| 129 | T | L | -1.2430 | |
| 130 | A | L | 0.0000 | |
| 131 | S | L | 0.0000 | |
| 132 | V | L | 0.0000 | |
| 133 | V | L | 0.0000 | |
| 134 | C | L | 0.0000 | |
| 135 | L | L | 0.0000 | |
| 136 | L | L | 0.0000 | |
| 137 | N | L | 0.0000 | |
| 138 | N | L | -0.6740 | |
| 139 | F | L | 0.0000 | |
| 140 | Y | L | -0.6871 | |
| 141 | P | L | -1.5177 | |
| 142 | R | L | -3.2020 | |
| 143 | E | L | -3.2451 | |
| 144 | A | L | -2.3593 | |
| 145 | K | L | -2.4842 | |
| 146 | V | L | -1.1274 | |
| 147 | Q | L | -0.8037 | |
| 148 | W | L | 0.0000 | |
| 149 | K | L | -0.6741 | |
| 150 | V | L | 0.0000 | |
| 151 | D | L | -2.1054 | |
| 152 | N | L | -1.6299 | |
| 153 | A | L | -0.3494 | |
| 154 | L | L | 0.6383 | |
| 155 | Q | L | -0.3128 | |
| 156 | S | L | -0.4721 | |
| 157 | G | L | -0.9596 | |
| 158 | N | L | -0.9048 | |
| 159 | S | L | -1.1332 | |
| 160 | Q | L | -1.3194 | |
| 161 | E | L | -1.3243 | |
| 162 | S | L | -0.5477 | |
| 163 | V | L | -0.7073 | |
| 164 | T | L | -1.1102 | |
| 165 | E | L | -2.2937 | |
| 166 | Q | L | -2.0882 | |
| 167 | D | L | -1.8645 | |
| 168 | S | L | -2.3086 | |
| 169 | K | L | -2.7557 | |
| 170 | D | L | -2.0555 | |
| 171 | S | L | 0.0000 | |
| 172 | T | L | 0.0000 | |
| 173 | Y | L | -1.2924 | |
| 174 | S | L | 0.0000 | |
| 175 | L | L | 0.0000 | |
| 176 | S | L | 0.0000 | |
| 177 | S | L | 0.0000 | |
| 178 | T | L | -0.5987 | |
| 179 | L | L | 0.0000 | |
| 180 | T | L | -0.4288 | |
| 181 | L | L | -0.7157 | |
| 182 | S | L | -1.1913 | |
| 183 | K | L | -2.2995 | |
| 184 | A | L | -1.9888 | |
| 185 | D | L | -2.5224 | |
| 186 | Y | L | 0.0000 | |
| 187 | E | L | -3.9162 | |
| 188 | K | L | -3.8216 | |
| 189 | H | L | -3.4502 | |
| 190 | K | L | -3.7212 | |
| 191 | V | L | -2.2243 | |
| 192 | Y | L | 0.0000 | |
| 193 | A | L | 0.0000 | |
| 194 | C | L | 0.0000 | |
| 195 | E | L | -0.8429 | |
| 196 | V | L | 0.0000 | |
| 197 | T | L | -1.0810 | |
| 198 | H | L | 0.0000 | |
| 199 | Q | L | -1.6321 | |
| 200 | G | L | -0.1839 | |
| 201 | L | L | -0.0895 | |
| 202 | S | L | -0.3876 | |
| 203 | S | L | -0.3792 | |
| 204 | P | L | -0.5682 | |
| 205 | V | L | -0.0234 | |
| 206 | T | L | -0.5151 | |
| 207 | K | L | -0.7038 | |
| 208 | S | L | -0.8261 | |
| 209 | F | L | -1.1330 | |
| 210 | N | L | -2.6211 | |
| 211 | R | L | -3.4606 |
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 | -0.8148 | 2.1968 | View | CSV | PDB |
| 4.5 | -0.859 | 2.1522 | View | CSV | PDB |
| 5.0 | -0.9125 | 2.0836 | View | CSV | PDB |
| 5.5 | -0.9649 | 2.0019 | View | CSV | PDB |
| 6.0 | -1.0043 | 1.92 | View | CSV | PDB |
| 6.5 | -1.022 | 1.8509 | View | CSV | PDB |
| 7.0 | -1.0169 | 1.8058 | View | CSV | PDB |
| 7.5 | -0.9957 | 1.7841 | View | CSV | PDB |
| 8.0 | -0.9652 | 1.7759 | View | CSV | PDB |
| 8.5 | -0.9282 | 1.7731 | View | CSV | PDB |
| 9.0 | -0.8852 | 1.7722 | 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