| Chain sequence(s) |
A: DIVMTQTPLSLSVTPGQPASISCRSSRSLVHSRGNTYLHWYLQKPGQSPQLLIYKVSNRFIGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCSQSTHLPFTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
C: QVQLVQSGAEVKKPGSSVKVSCKASGYSFTDYHIHWVRQAPGQGLEWMGVINPMYGTTDYNQRFKGRVTITADESTSTAYMELSSLRSEDTAVYYCARYDYFTGTGVYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPPCPAPEFLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLSLG B: DIVMTQTPLSLSVTPGQPASISCRSSRSLVHSRGNTYLHWYLQKPGQSPQLLIYKVSNRFIGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCSQSTHLPFTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC D: QVQLVQSGAEVKKPGSSVKVSCKASGYSFTDYHIHWVRQAPGQGLEWMGVINPMYGTTDYNQRFKGRVTITADESTSTAYMELSSLRSEDTAVYYCARYDYFTGTGVYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPPCPAPEFLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLSLG 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:24:09)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/26171bfa1db607f/tmp/folded.pdb (00:24:10)
[INFO] Main: Simulation completed successfully. (00:41:07)
|
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 | -1.4906 | |
| 2 | I | A | 0.0000 | |
| 3 | V | A | 0.5906 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -0.4766 | |
| 6 | Q | A | 0.0000 | |
| 7 | T | A | -0.1134 | |
| 8 | P | A | 0.3295 | |
| 9 | L | A | 1.0348 | |
| 10 | S | A | 0.2075 | |
| 11 | L | A | -0.0889 | |
| 12 | S | A | -0.7741 | |
| 13 | V | A | 0.0000 | |
| 14 | T | A | -1.4588 | |
| 15 | P | A | -1.7926 | |
| 16 | G | A | -1.7630 | |
| 17 | Q | A | -1.9989 | |
| 18 | P | A | -2.0378 | |
| 19 | A | A | 0.0000 | |
| 20 | S | A | -0.9013 | |
| 21 | I | A | 0.0000 | |
| 22 | S | A | -0.9338 | |
| 23 | C | A | 0.0000 | |
| 24 | R | A | -2.4006 | |
| 25 | S | A | 0.0000 | |
| 26 | S | A | -1.2472 | |
| 27 | R | A | -2.1598 | |
| 28 | S | A | -1.1974 | |
| 29 | L | A | 0.0000 | |
| 30 | V | A | 0.0285 | |
| 31 | H | A | -0.7692 | |
| 32 | S | A | -1.1760 | |
| 33 | R | A | -2.2021 | |
| 34 | G | A | -1.4097 | |
| 35 | N | A | -1.0810 | |
| 36 | T | A | -0.3413 | |
| 37 | Y | A | -0.0004 | |
| 38 | L | A | 0.0000 | |
| 39 | H | A | 0.0000 | |
| 40 | W | A | 0.0000 | |
| 41 | Y | A | 0.0000 | |
| 42 | L | A | 0.0000 | |
| 43 | Q | A | -1.0441 | |
| 44 | K | A | -1.7164 | |
| 45 | P | A | -1.3797 | |
| 46 | G | A | -1.6088 | |
| 47 | Q | A | -2.0560 | |
| 48 | S | A | -1.3002 | |
| 49 | P | A | 0.0000 | |
| 50 | Q | A | -0.9431 | |
| 51 | L | A | 0.0000 | |
| 52 | L | A | 0.0000 | |
| 53 | I | A | 0.0000 | |
| 54 | Y | A | -0.0858 | |
| 55 | K | A | -0.2956 | |
| 56 | V | A | 0.0000 | |
| 57 | S | A | -0.8898 | |
| 58 | N | A | -0.8980 | |
| 59 | R | A | -0.9864 | |
| 60 | F | A | 0.2780 | |
| 61 | I | A | 1.6610 | |
| 62 | G | A | 0.2705 | |
| 63 | V | A | -0.1711 | |
| 64 | P | A | -0.9104 | |
| 65 | D | A | -2.3492 | |
| 66 | R | A | -2.2843 | |
| 67 | F | A | 0.0000 | |
| 68 | S | A | -1.5641 | |
| 69 | G | A | 0.0000 | |
| 70 | S | A | -1.0167 | |
| 71 | G | A | -1.0427 | |
| 72 | S | A | -0.7772 | |
| 73 | G | A | -0.8643 | |
| 74 | T | A | -1.6837 | |
| 75 | D | A | -2.2581 | |
| 76 | F | A | 0.0000 | |
| 77 | T | A | -1.2060 | |
| 78 | L | A | 0.0000 | |
| 79 | K | A | -2.2130 | |
| 80 | I | A | 0.0000 | |
| 81 | S | A | -2.3871 | |
| 82 | R | A | -3.2252 | |
| 83 | V | A | 0.0000 | |
| 84 | E | A | -2.6375 | |
| 85 | A | A | -2.2410 | |
| 86 | E | A | -2.3765 | |
| 87 | D | A | 0.0000 | |
| 88 | V | A | 0.0000 | |
| 89 | G | A | 0.0000 | |
| 90 | V | A | -0.2147 | |
| 91 | Y | A | 0.0000 | |
| 92 | Y | A | 0.0000 | |
| 93 | C | A | 0.0000 | |
| 94 | S | A | 0.0000 | |
| 95 | Q | A | 0.0000 | |
| 96 | S | A | 0.0000 | |
| 97 | T | A | 0.1606 | |
| 98 | H | A | -0.1733 | |
| 99 | L | A | 0.4162 | |
| 100 | P | A | 0.0000 | |
| 101 | F | A | 0.4386 | |
| 102 | T | A | 0.1974 | |
| 103 | F | A | 0.2135 | |
| 104 | G | A | 0.0000 | |
| 105 | Q | A | -0.8701 | |
| 106 | G | A | 0.0000 | |
| 107 | T | A | 0.0000 | |
| 108 | K | A | -0.6179 | |
| 109 | L | A | 0.0000 | |
| 110 | E | A | -1.1847 | |
| 111 | I | A | 0.0000 | |
| 112 | K | A | -1.2434 | |
| 113 | R | A | -0.9051 | |
| 114 | T | A | 0.0105 | |
| 115 | V | A | 0.4778 | |
| 116 | A | A | 0.0636 | |
| 117 | A | A | -0.0911 | |
| 118 | P | A | 0.0000 | |
| 119 | S | A | -0.1184 | |
| 120 | V | A | 0.0000 | |
| 121 | F | A | 0.0762 | |
| 122 | I | A | 0.0358 | |
| 123 | F | A | 0.0000 | |
| 124 | P | A | 0.0000 | |
| 125 | P | A | 0.0000 | |
| 126 | S | A | -1.6545 | |
| 127 | D | A | -3.1688 | |
| 128 | E | A | -3.2944 | |
| 129 | Q | A | 0.0000 | |
| 130 | L | A | -2.3185 | |
| 131 | K | A | -2.9595 | |
| 132 | S | A | -1.8358 | |
| 133 | G | A | -1.2978 | |
| 134 | T | A | -1.0301 | |
| 135 | A | A | 0.0000 | |
| 136 | S | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | V | A | 0.0000 | |
| 139 | C | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | N | A | 0.0000 | |
| 143 | N | A | -0.6778 | |
| 144 | F | A | 0.0000 | |
| 145 | Y | A | 0.0000 | |
| 146 | P | A | -1.3433 | |
| 147 | R | A | -2.3343 | |
| 148 | E | A | -2.9217 | |
| 149 | A | A | -2.1716 | |
| 150 | K | A | -2.4003 | |
| 151 | V | A | -1.1490 | |
| 152 | Q | A | -0.7370 | |
| 153 | W | A | 0.0000 | |
| 154 | K | A | -0.5922 | |
| 155 | V | A | 0.0000 | |
| 156 | D | A | -1.5419 | |
| 157 | N | A | -1.3779 | |
| 158 | A | A | -0.2472 | |
| 159 | L | A | 0.6753 | |
| 160 | Q | A | -0.3195 | |
| 161 | S | A | -0.6703 | |
| 162 | G | A | -1.2693 | |
| 163 | N | A | -1.5784 | |
| 164 | S | A | -1.3923 | |
| 165 | Q | A | -1.2672 | |
| 166 | E | A | -1.3710 | |
| 167 | S | A | -0.7077 | |
| 168 | V | A | -0.5377 | |
| 169 | T | A | 0.0000 | |
| 170 | E | A | -1.8866 | |
| 171 | Q | A | 0.0000 | |
| 172 | D | A | -1.9026 | |
| 173 | S | A | -2.3113 | |
| 174 | K | A | -2.6602 | |
| 175 | D | A | -1.7980 | |
| 176 | S | A | 0.0000 | |
| 177 | T | A | 0.0000 | |
| 178 | Y | A | 0.0000 | |
| 179 | S | A | 0.0000 | |
| 180 | L | A | 0.0000 | |
| 181 | S | A | 0.0000 | |
| 182 | S | A | 0.0000 | |
| 183 | T | A | -0.6176 | |
| 184 | L | A | 0.0000 | |
| 185 | T | A | -0.6237 | |
| 186 | L | A | -0.7083 | |
| 187 | S | A | -0.9218 | |
| 188 | K | A | -1.8402 | |
| 189 | A | A | -1.6370 | |
| 190 | D | A | -2.2767 | |
| 191 | Y | A | 0.0000 | |
| 192 | E | A | -2.5536 | |
| 193 | K | A | -3.0133 | |
| 194 | H | A | -2.1207 | |
| 195 | K | A | -1.5333 | |
| 196 | V | A | -0.7257 | |
| 197 | Y | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | C | A | 0.0000 | |
| 200 | E | A | -0.7986 | |
| 201 | V | A | 0.0000 | |
| 202 | T | A | -1.2494 | |
| 203 | H | A | 0.0000 | |
| 204 | Q | A | -1.6852 | |
| 205 | G | A | -0.4125 | |
| 206 | L | A | -0.2414 | |
| 207 | S | A | -0.4616 | |
| 208 | S | A | -0.4244 | |
| 209 | P | A | -0.5516 | |
| 210 | V | A | -0.0072 | |
| 211 | T | A | -0.4978 | |
| 212 | K | A | -0.7185 | |
| 213 | S | A | -0.5861 | |
| 214 | F | A | 0.0000 | |
| 215 | N | A | -0.7119 | |
| 216 | R | A | -1.0020 | |
| 217 | G | A | -0.9153 | |
| 218 | E | A | -0.7948 | |
| 219 | C | A | -0.6010 | |
| 1 | D | B | -1.5088 | |
| 2 | I | B | 0.0000 | |
| 3 | V | B | 0.5918 | |
| 4 | M | B | 0.0000 | |
| 5 | T | B | -0.4633 | |
| 6 | Q | B | 0.0000 | |
| 7 | T | B | -0.0992 | |
| 8 | P | B | 0.3673 | |
| 9 | L | B | 1.0885 | |
| 10 | S | B | 0.3127 | |
| 11 | L | B | 0.0333 | |
| 12 | S | B | -0.6503 | |
| 13 | V | B | 0.0000 | |
| 14 | T | B | -1.4440 | |
| 15 | P | B | -1.8925 | |
| 16 | G | B | -1.8109 | |
| 17 | Q | B | -2.0947 | |
| 18 | P | B | -1.9637 | |
| 19 | A | B | 0.0000 | |
| 20 | S | B | -0.6808 | |
| 21 | I | B | 0.0000 | |
| 22 | S | B | -0.8410 | |
| 23 | C | B | 0.0000 | |
| 24 | R | B | -2.3975 | |
| 25 | S | B | 0.0000 | |
| 26 | S | B | -1.2538 | |
| 27 | R | B | -2.1614 | |
| 28 | S | B | -1.1963 | |
| 29 | L | B | 0.0000 | |
| 30 | V | B | 0.0256 | |
| 31 | H | B | -0.7752 | |
| 32 | S | B | -1.1778 | |
| 33 | R | B | -2.2089 | |
| 34 | G | B | -1.4228 | |
| 35 | N | B | -1.1053 | |
| 36 | T | B | -0.3451 | |
| 37 | Y | B | 0.0017 | |
| 38 | L | B | 0.0000 | |
| 39 | H | B | 0.0000 | |
| 40 | W | B | 0.0000 | |
| 41 | Y | B | 0.0000 | |
| 42 | L | B | 0.0000 | |
| 43 | Q | B | -1.0419 | |
| 44 | K | B | -1.8117 | |
| 45 | P | B | -1.4032 | |
| 46 | G | B | -1.6186 | |
| 47 | Q | B | -2.0639 | |
| 48 | S | B | -1.3139 | |
| 49 | P | B | 0.0000 | |
| 50 | Q | B | -0.9723 | |
| 51 | L | B | 0.0000 | |
| 52 | L | B | 0.0000 | |
| 53 | I | B | 0.0000 | |
| 54 | Y | B | -0.0397 | |
| 55 | K | B | -0.2526 | |
| 56 | V | B | 0.0000 | |
| 57 | S | B | -0.8759 | |
| 58 | N | B | -0.8855 | |
| 59 | R | B | -0.9852 | |
| 60 | F | B | 0.2860 | |
| 61 | I | B | 1.6564 | |
| 62 | G | B | 0.2595 | |
| 63 | V | B | -0.1932 | |
| 64 | P | B | -0.9520 | |
| 65 | D | B | -2.3511 | |
| 66 | R | B | -2.1572 | |
| 67 | F | B | 0.0000 | |
| 68 | S | B | -1.3954 | |
| 69 | G | B | 0.0000 | |
| 70 | S | B | -0.9363 | |
| 71 | G | B | -1.0404 | |
| 72 | S | B | -0.7803 | |
| 73 | G | B | -0.8660 | |
| 74 | T | B | -1.6864 | |
| 75 | D | B | -2.2628 | |
| 76 | F | B | 0.0000 | |
| 77 | T | B | -1.0816 | |
| 78 | L | B | 0.0000 | |
| 79 | K | B | -1.7124 | |
| 80 | I | B | 0.0000 | |
| 81 | S | B | -2.1947 | |
| 82 | R | B | -3.1520 | |
| 83 | V | B | 0.0000 | |
| 84 | E | B | -2.7648 | |
| 85 | A | B | -2.4745 | |
| 86 | E | B | -2.9672 | |
| 87 | D | B | 0.0000 | |
| 88 | V | B | 0.0000 | |
| 89 | G | B | 0.0000 | |
| 90 | V | B | -0.1364 | |
| 91 | Y | B | 0.0000 | |
| 92 | Y | B | 0.0000 | |
| 93 | C | B | 0.0000 | |
| 94 | S | B | 0.0000 | |
| 95 | Q | B | 0.0000 | |
| 96 | S | B | 0.2008 | |
| 97 | T | B | 0.1604 | |
| 98 | H | B | -0.1598 | |
| 99 | L | B | 0.4175 | |
| 100 | P | B | -0.3641 | |
| 101 | F | B | 0.4314 | |
| 102 | T | B | 0.1876 | |
| 103 | F | B | 0.2151 | |
| 104 | G | B | 0.0000 | |
| 105 | Q | B | -0.8624 | |
| 106 | G | B | 0.0000 | |
| 107 | T | B | 0.0000 | |
| 108 | K | B | -0.3986 | |
| 109 | L | B | 0.0000 | |
| 110 | E | B | -0.9463 | |
| 111 | I | B | 0.0000 | |
| 112 | K | B | -1.1115 | |
| 113 | R | B | -0.9469 | |
| 114 | T | B | -0.0412 | |
| 115 | V | B | 0.4045 | |
| 116 | A | B | 0.0141 | |
| 117 | A | B | -0.0749 | |
| 118 | P | B | 0.0000 | |
| 119 | S | B | -0.0183 | |
| 120 | V | B | 0.0803 | |
| 121 | F | B | 0.1437 | |
| 122 | I | B | 0.0549 | |
| 123 | F | B | 0.0000 | |
| 124 | P | B | 0.0000 | |
| 125 | P | B | 0.0000 | |
| 126 | S | B | -1.4862 | |
| 127 | D | B | -2.8989 | |
| 128 | E | B | -2.7247 | |
| 129 | Q | B | 0.0000 | |
| 130 | L | B | -2.1629 | |
| 131 | K | B | -2.7649 | |
| 132 | S | B | -1.7022 | |
| 133 | G | B | -1.2007 | |
| 134 | T | B | -0.9126 | |
| 135 | A | B | 0.0000 | |
| 136 | S | B | 0.0000 | |
| 137 | V | B | 0.0000 | |
| 138 | V | B | 0.0000 | |
| 139 | C | B | 0.0000 | |
| 140 | L | B | 0.0000 | |
| 141 | L | B | 0.0000 | |
| 142 | N | B | 0.0000 | |
| 143 | N | B | -0.6510 | |
| 144 | F | B | 0.0000 | |
| 145 | Y | B | 0.0000 | |
| 146 | P | B | -1.3855 | |
| 147 | R | B | -2.3895 | |
| 148 | E | B | -2.9623 | |
| 149 | A | B | -2.1960 | |
| 150 | K | B | -2.3983 | |
| 151 | V | B | -1.0888 | |
| 152 | Q | B | -0.6343 | |
| 153 | W | B | 0.0000 | |
| 154 | K | B | -0.5485 | |
| 155 | V | B | 0.0000 | |
| 156 | D | B | -1.5563 | |
| 157 | N | B | -1.3813 | |
| 158 | A | B | -0.2449 | |
| 159 | L | B | 0.7076 | |
| 160 | Q | B | -0.2770 | |
| 161 | S | B | -0.6381 | |
| 162 | G | B | -1.2472 | |
| 163 | N | B | -1.5376 | |
| 164 | S | B | -1.3393 | |
| 165 | Q | B | -1.2062 | |
| 166 | E | B | -1.2316 | |
| 167 | S | B | -0.5487 | |
| 168 | V | B | -0.2855 | |
| 169 | T | B | -0.7975 | |
| 170 | E | B | -1.8614 | |
| 171 | Q | B | 0.0000 | |
| 172 | D | B | -1.9949 | |
| 173 | S | B | -2.5244 | |
| 174 | K | B | -2.8151 | |
| 175 | D | B | -1.8950 | |
| 176 | S | B | 0.0000 | |
| 177 | T | B | 0.0000 | |
| 178 | Y | B | 0.0000 | |
| 179 | S | B | 0.0000 | |
| 180 | L | B | 0.0000 | |
| 181 | S | B | 0.0000 | |
| 182 | S | B | 0.0000 | |
| 183 | T | B | -0.5900 | |
| 184 | L | B | 0.0000 | |
| 185 | T | B | -0.5801 | |
| 186 | L | B | -0.6479 | |
| 187 | S | B | -0.8327 | |
| 188 | K | B | -1.7627 | |
| 189 | A | B | -1.5587 | |
| 190 | D | B | -2.0772 | |
| 191 | Y | B | 0.0000 | |
| 192 | E | B | -2.6887 | |
| 193 | K | B | -3.0210 | |
| 194 | H | B | -2.1109 | |
| 195 | K | B | -1.5275 | |
| 196 | V | B | -0.7261 | |
| 197 | Y | B | 0.0000 | |
| 198 | A | B | 0.0000 | |
| 199 | C | B | 0.0000 | |
| 200 | E | B | -0.7599 | |
| 201 | V | B | 0.0000 | |
| 202 | T | B | -1.2271 | |
| 203 | H | B | 0.0000 | |
| 204 | Q | B | -1.7028 | |
| 205 | G | B | -0.4266 | |
| 206 | L | B | -0.2436 | |
| 207 | S | B | -0.4590 | |
| 208 | S | B | -0.4179 | |
| 209 | P | B | -0.5429 | |
| 210 | V | B | 0.0224 | |
| 211 | T | B | -0.4810 | |
| 212 | K | B | -0.7610 | |
| 213 | S | B | -0.6231 | |
| 214 | F | B | 0.0000 | |
| 215 | N | B | -0.6668 | |
| 216 | R | B | -1.0254 | |
| 217 | G | B | 0.0000 | |
| 218 | E | B | -0.8036 | |
| 219 | C | B | -0.6521 | |
| 1 | Q | C | -1.4512 | |
| 2 | V | C | -0.8290 | |
| 3 | Q | C | -1.3165 | |
| 4 | L | C | 0.0000 | |
| 5 | V | C | -0.2204 | |
| 6 | Q | C | 0.0000 | |
| 7 | S | C | -0.7392 | |
| 8 | G | C | -1.0525 | |
| 9 | A | C | 0.0000 | |
| 10 | E | C | -1.5048 | |
| 11 | V | C | -0.8889 | |
| 12 | K | C | -1.7779 | |
| 13 | K | C | -2.4865 | |
| 14 | P | C | -2.2357 | |
| 15 | G | C | -1.6476 | |
| 16 | S | C | -1.3349 | |
| 17 | S | C | -1.3922 | |
| 18 | V | C | 0.0000 | |
| 19 | K | C | -1.8446 | |
| 20 | V | C | 0.0000 | |
| 21 | S | C | -0.5498 | |
| 22 | C | C | 0.0000 | |
| 23 | K | C | -0.9314 | |
| 24 | A | C | 0.0000 | |
| 25 | S | C | -0.8427 | |
| 26 | G | C | -0.9875 | |
| 27 | Y | C | -0.6443 | |
| 28 | S | C | -0.8788 | |
| 29 | F | C | 0.0000 | |
| 30 | T | C | -0.8908 | |
| 31 | D | C | -1.4318 | |
| 32 | Y | C | -0.3841 | |
| 33 | H | C | -0.1973 | |
| 34 | I | C | 0.0000 | |
| 35 | H | C | 0.0000 | |
| 36 | W | C | 0.0000 | |
| 37 | V | C | 0.0000 | |
| 38 | R | C | -0.3957 | |
| 39 | Q | C | -0.6458 | |
| 40 | A | C | -1.0167 | |
| 41 | P | C | -1.0176 | |
| 42 | G | C | -1.2147 | |
| 43 | Q | C | -1.8526 | |
| 44 | G | C | -1.2640 | |
| 45 | L | C | 0.0000 | |
| 46 | E | C | -0.5056 | |
| 47 | W | C | 0.0000 | |
| 48 | M | C | 0.0000 | |
| 49 | G | C | 0.0000 | |
| 50 | V | C | 0.0000 | |
| 51 | I | C | 0.0000 | |
| 52 | N | C | -0.1464 | |
| 53 | P | C | -0.3031 | |
| 54 | M | C | 0.5559 | |
| 55 | Y | C | 1.4522 | |
| 56 | G | C | 0.0275 | |
| 57 | T | C | -0.0802 | |
| 58 | T | C | -0.6843 | |
| 59 | D | C | -1.4665 | |
| 60 | Y | C | -1.3436 | |
| 61 | N | C | 0.0000 | |
| 62 | Q | C | -2.9435 | |
| 63 | R | C | -2.9653 | |
| 64 | F | C | 0.0000 | |
| 65 | K | C | -3.1188 | |
| 66 | G | C | -1.8928 | |
| 67 | R | C | -1.7185 | |
| 68 | V | C | 0.0000 | |
| 69 | T | C | -1.0186 | |
| 70 | I | C | 0.0000 | |
| 71 | T | C | -0.5570 | |
| 72 | A | C | -0.7413 | |
| 73 | D | C | -1.6458 | |
| 74 | E | C | -2.1908 | |
| 75 | S | C | -1.3251 | |
| 76 | T | C | -1.1071 | |
| 77 | S | C | -1.2846 | |
| 78 | T | C | 0.0000 | |
| 79 | A | C | 0.0000 | |
| 80 | Y | C | -0.5733 | |
| 81 | M | C | 0.0000 | |
| 82 | E | C | -1.4707 | |
| 83 | L | C | 0.0000 | |
| 84 | S | C | -1.1724 | |
| 85 | S | C | -1.2866 | |
| 86 | L | C | 0.0000 | |
| 87 | R | C | -3.0933 | |
| 88 | S | C | -2.3592 | |
| 89 | E | C | -2.5580 | |
| 90 | D | C | 0.0000 | |
| 91 | T | C | -0.9882 | |
| 92 | A | C | 0.0000 | |
| 93 | V | C | 0.1992 | |
| 94 | Y | C | 0.0000 | |
| 95 | Y | C | 0.0000 | |
| 96 | C | C | 0.0000 | |
| 97 | A | C | 0.0000 | |
| 98 | R | C | 0.0000 | |
| 99 | Y | C | 0.6219 | |
| 100 | D | C | 0.0000 | |
| 101 | Y | C | 2.1172 | |
| 102 | F | C | 2.5876 | |
| 103 | T | C | 0.0000 | |
| 104 | G | C | 0.0000 | |
| 105 | T | C | 0.0000 | |
| 106 | G | C | 0.0000 | |
| 107 | V | C | 0.0000 | |
| 108 | Y | C | 0.1596 | |
| 109 | W | C | -0.2287 | |
| 110 | G | C | 0.0000 | |
| 111 | Q | C | -1.3640 | |
| 112 | G | C | -0.6430 | |
| 113 | T | C | 0.0000 | |
| 114 | L | C | -0.1626 | |
| 115 | V | C | 0.0000 | |
| 116 | T | C | 0.0000 | |
| 117 | V | C | 0.0000 | |
| 118 | S | C | -1.2166 | |
| 119 | S | C | -0.9618 | |
| 120 | A | C | -0.6293 | |
| 121 | S | C | -0.7237 | |
| 122 | T | C | -0.9661 | |
| 123 | K | C | -1.3479 | |
| 124 | G | C | -1.4172 | |
| 125 | P | C | 0.0000 | |
| 126 | S | C | -0.4547 | |
| 127 | V | C | 0.0000 | |
| 128 | F | C | 0.0000 | |
| 129 | P | C | -0.8302 | |
| 130 | L | C | 0.0000 | |
| 131 | A | C | 0.0000 | |
| 132 | P | C | -0.2509 | |
| 133 | C | C | 0.0000 | |
| 134 | S | C | -0.7276 | |
| 135 | R | C | -1.1037 | |
| 136 | S | C | -1.0727 | |
| 137 | T | C | -0.9644 | |
| 138 | S | C | -1.3313 | |
| 139 | E | C | -2.1639 | |
| 140 | S | C | -1.3241 | |
| 141 | T | C | -0.9037 | |
| 142 | A | C | 0.0000 | |
| 143 | A | C | 0.0000 | |
| 144 | L | C | 0.0000 | |
| 145 | G | C | 0.0000 | |
| 146 | C | C | 0.0000 | |
| 147 | L | C | 0.0000 | |
| 148 | V | C | 0.0000 | |
| 149 | K | C | 0.0000 | |
| 150 | D | C | -0.3841 | |
| 151 | Y | C | 0.0000 | |
| 152 | F | C | 0.0000 | |
| 153 | P | C | 0.0000 | |
| 154 | E | C | -0.4922 | |
| 155 | P | C | -0.7386 | |
| 156 | V | C | 0.0000 | |
| 157 | T | C | -0.6184 | |
| 158 | V | C | -0.1913 | |
| 159 | S | C | -0.3580 | |
| 160 | W | C | 0.0000 | |
| 161 | N | C | 0.0000 | |
| 162 | S | C | -0.8685 | |
| 163 | G | C | -0.5375 | |
| 164 | A | C | -1.0451 | |
| 165 | L | C | 0.0000 | |
| 166 | T | C | -0.6019 | |
| 167 | S | C | -0.6584 | |
| 168 | G | C | -0.3344 | |
| 169 | V | C | 0.1975 | |
| 170 | H | C | -0.2148 | |
| 171 | T | C | 0.0337 | |
| 172 | F | C | 0.0000 | |
| 173 | P | C | -0.2508 | |
| 174 | A | C | 0.2834 | |
| 175 | V | C | 0.5992 | |
| 176 | L | C | 1.2573 | |
| 177 | Q | C | 0.3294 | |
| 178 | S | C | -0.0490 | |
| 179 | S | C | -0.2006 | |
| 180 | G | C | 0.0472 | |
| 181 | L | C | 0.1494 | |
| 182 | Y | C | 0.4724 | |
| 183 | S | C | 0.0000 | |
| 184 | L | C | 0.0000 | |
| 185 | S | C | 0.0000 | |
| 186 | S | C | 0.0000 | |
| 187 | V | C | 0.0000 | |
| 188 | V | C | 0.0000 | |
| 189 | T | C | -0.0691 | |
| 190 | V | C | 0.0000 | |
| 191 | P | C | -0.8273 | |
| 192 | S | C | 0.0000 | |
| 193 | S | C | -0.4601 | |
| 194 | S | C | -0.3302 | |
| 195 | L | C | 0.0000 | |
| 196 | G | C | -0.5782 | |
| 197 | T | C | -0.4367 | |
| 198 | K | C | -0.5302 | |
| 199 | T | C | 0.0000 | |
| 200 | Y | C | 0.0000 | |
| 201 | T | C | -1.2735 | |
| 202 | C | C | 0.0000 | |
| 203 | N | C | -1.4236 | |
| 204 | V | C | 0.0000 | |
| 205 | D | C | -1.9146 | |
| 206 | H | C | 0.0000 | |
| 207 | K | C | -2.7595 | |
| 208 | P | C | -1.7789 | |
| 209 | S | C | -1.8958 | |
| 210 | N | C | -2.5328 | |
| 211 | T | C | -2.0471 | |
| 212 | K | C | -2.6951 | |
| 213 | V | C | -1.5904 | |
| 214 | D | C | -2.4409 | |
| 215 | K | C | -1.7263 | |
| 216 | R | C | -1.7807 | |
| 217 | V | C | 0.0000 | |
| 218 | E | C | -0.8949 | |
| 219 | S | C | 0.0000 | |
| 220 | K | C | -1.0476 | |
| 221 | Y | C | 0.0000 | |
| 222 | G | C | 0.0000 | |
| 223 | P | C | -0.6888 | |
| 224 | P | C | -0.8333 | |
| 225 | C | C | -0.4671 | |
| 226 | P | C | -0.5708 | |
| 227 | P | C | -0.5216 | |
| 228 | C | C | -0.2738 | |
| 229 | P | C | -0.5847 | |
| 230 | A | C | -0.4439 | |
| 231 | P | C | -0.4894 | |
| 232 | E | C | -1.0336 | |
| 233 | F | C | 1.1528 | |
| 234 | L | C | 1.5901 | |
| 235 | G | C | 0.0867 | |
| 236 | G | C | -0.1915 | |
| 237 | P | C | 0.0000 | |
| 238 | S | C | -0.0280 | |
| 239 | V | C | 0.0000 | |
| 240 | F | C | 1.0555 | |
| 241 | L | C | 0.7513 | |
| 242 | F | C | 1.0901 | |
| 243 | P | C | -0.0839 | |
| 244 | P | C | 0.0000 | |
| 245 | K | C | -1.9936 | |
| 246 | P | C | -1.2967 | |
| 247 | K | C | -1.1945 | |
| 248 | D | C | 0.0000 | |
| 249 | T | C | 0.0000 | |
| 250 | L | C | 0.0000 | |
| 251 | M | C | 0.2771 | |
| 252 | I | C | 1.3098 | |
| 253 | S | C | 0.1106 | |
| 254 | R | C | -1.1042 | |
| 255 | T | C | -0.6725 | |
| 256 | P | C | 0.0000 | |
| 257 | E | C | -1.2160 | |
| 258 | V | C | 0.0000 | |
| 259 | T | C | 0.1127 | |
| 260 | C | C | 0.0000 | |
| 261 | V | C | 0.0000 | |
| 262 | V | C | 0.0000 | |
| 263 | V | C | -0.8140 | |
| 264 | D | C | -0.8205 | |
| 265 | V | C | 0.0000 | |
| 266 | S | C | -2.0572 | |
| 267 | Q | C | -2.4318 | |
| 268 | E | C | -2.9356 | |
| 269 | D | C | -2.6156 | |
| 270 | P | C | -2.6255 | |
| 271 | E | C | -2.9895 | |
| 272 | V | C | -1.8106 | |
| 273 | Q | C | -1.7455 | |
| 274 | F | C | -1.1497 | |
| 275 | N | C | -1.2436 | |
| 276 | W | C | 0.0000 | |
| 277 | Y | C | -1.0645 | |
| 278 | V | C | -1.1950 | |
| 279 | D | C | -2.4214 | |
| 280 | G | C | -1.1638 | |
| 281 | V | C | 0.1421 | |
| 282 | E | C | -1.4920 | |
| 283 | V | C | -0.9110 | |
| 284 | H | C | -2.0543 | |
| 285 | N | C | -2.2547 | |
| 286 | A | C | -1.9029 | |
| 287 | K | C | -2.4357 | |
| 288 | T | C | -1.8795 | |
| 289 | K | C | -2.3173 | |
| 290 | P | C | -2.3876 | |
| 291 | R | C | -3.5349 | |
| 292 | E | C | -3.6936 | |
| 293 | E | C | -3.2240 | |
| 294 | Q | C | -1.2943 | |
| 295 | F | C | 0.7804 | |
| 296 | N | C | -0.4011 | |
| 297 | S | C | -1.0014 | |
| 298 | T | C | -1.7857 | |
| 299 | Y | C | 0.0000 | |
| 300 | R | C | -2.4468 | |
| 301 | V | C | 0.0000 | |
| 302 | V | C | 0.0000 | |
| 303 | S | C | 0.0000 | |
| 304 | V | C | 0.0000 | |
| 305 | L | C | 0.0000 | |
| 306 | T | C | -0.7697 | |
| 307 | V | C | 0.0000 | |
| 308 | L | C | 0.4157 | |
| 309 | H | C | -0.2599 | |
| 310 | Q | C | -1.2399 | |
| 311 | D | C | -1.5833 | |
| 312 | W | C | 0.0000 | |
| 313 | L | C | -1.1728 | |
| 314 | N | C | -2.1637 | |
| 315 | G | C | -2.1779 | |
| 316 | K | C | -2.3790 | |
| 317 | E | C | -2.4698 | |
| 318 | Y | C | 0.0000 | |
| 319 | K | C | -1.8427 | |
| 320 | C | C | 0.0000 | |
| 321 | K | C | -1.4499 | |
| 322 | V | C | 0.0000 | |
| 323 | S | C | -1.3317 | |
| 324 | N | C | 0.0000 | |
| 325 | K | C | -2.6601 | |
| 326 | G | C | -1.6312 | |
| 327 | L | C | -0.7430 | |
| 328 | P | C | -0.5270 | |
| 329 | S | C | -0.7011 | |
| 330 | S | C | -0.9033 | |
| 331 | I | C | -0.6413 | |
| 332 | E | C | -2.0336 | |
| 333 | K | C | -1.2596 | |
| 334 | T | C | -1.1168 | |
| 335 | I | C | -0.2775 | |
| 336 | S | C | -1.2380 | |
| 337 | K | C | 0.0000 | |
| 338 | A | C | -1.0168 | |
| 339 | K | C | -2.1600 | |
| 340 | G | C | -1.5143 | |
| 341 | Q | C | -1.7191 | |
| 342 | P | C | -1.5904 | |
| 343 | R | C | -2.0105 | |
| 344 | E | C | -2.7580 | |
| 345 | P | C | 0.0000 | |
| 346 | Q | C | -1.6022 | |
| 347 | V | C | 0.0000 | |
| 348 | Y | C | 0.2743 | |
| 349 | T | C | 0.3484 | |
| 350 | L | C | 0.4579 | |
| 351 | P | C | 0.1678 | |
| 352 | P | C | -0.9305 | |
| 353 | S | C | -1.3862 | |
| 354 | Q | C | -2.4437 | |
| 355 | E | C | -2.9049 | |
| 356 | E | C | -2.5921 | |
| 357 | M | C | -2.3364 | |
| 358 | T | C | -2.1982 | |
| 359 | K | C | -3.3227 | |
| 360 | N | C | -2.9548 | |
| 361 | Q | C | -2.6219 | |
| 362 | V | C | 0.0000 | |
| 363 | S | C | 0.0000 | |
| 364 | L | C | 0.0000 | |
| 365 | T | C | -0.2495 | |
| 366 | C | C | 0.0000 | |
| 367 | L | C | 0.2450 | |
| 368 | V | C | 0.0000 | |
| 369 | K | C | -1.0733 | |
| 370 | G | C | -1.3900 | |
| 371 | F | C | 0.0000 | |
| 372 | Y | C | 0.0000 | |
| 373 | P | C | 0.0000 | |
| 374 | S | C | -0.3656 | |
| 375 | D | C | -1.0349 | |
| 376 | I | C | -0.5747 | |
| 377 | A | C | -0.5358 | |
| 378 | V | C | 0.0000 | |
| 379 | E | C | -1.2804 | |
| 380 | W | C | 0.0000 | |
| 381 | E | C | -1.6145 | |
| 382 | S | C | -1.2390 | |
| 383 | N | C | -1.8362 | |
| 384 | G | C | -1.7240 | |
| 385 | Q | C | -2.2324 | |
| 386 | P | C | -1.8750 | |
| 387 | E | C | 0.0000 | |
| 388 | N | C | -2.3554 | |
| 389 | N | C | -2.2917 | |
| 390 | Y | C | -2.1246 | |
| 391 | K | C | -2.5003 | |
| 392 | T | C | -1.1491 | |
| 393 | T | C | -0.5541 | |
| 394 | P | C | -0.3644 | |
| 395 | P | C | -0.1333 | |
| 396 | V | C | -0.0482 | |
| 397 | L | C | 0.0000 | |
| 398 | D | C | -0.9628 | |
| 399 | S | C | -1.1971 | |
| 400 | D | C | -1.4505 | |
| 401 | G | C | 0.0000 | |
| 402 | S | C | 0.0000 | |
| 403 | F | C | -0.3189 | |
| 404 | F | C | -0.0809 | |
| 405 | L | C | 0.0000 | |
| 406 | Y | C | 0.0402 | |
| 407 | S | C | 0.0000 | |
| 408 | R | C | -1.8929 | |
| 409 | L | C | 0.0000 | |
| 410 | T | C | -1.5061 | |
| 411 | V | C | 0.0000 | |
| 412 | D | C | -2.3595 | |
| 413 | K | C | -2.8692 | |
| 414 | S | C | -2.3354 | |
| 415 | R | C | -2.0749 | |
| 416 | W | C | 0.0000 | |
| 417 | Q | C | -2.5040 | |
| 418 | E | C | -2.7059 | |
| 419 | G | C | -1.2147 | |
| 420 | N | C | -1.0546 | |
| 421 | V | C | 0.4432 | |
| 422 | F | C | 0.0000 | |
| 423 | S | C | 0.0000 | |
| 424 | C | C | 0.0000 | |
| 425 | S | C | 0.0000 | |
| 426 | V | C | 0.0000 | |
| 427 | M | C | 0.0000 | |
| 428 | H | C | 0.0000 | |
| 429 | E | C | -1.0805 | |
| 430 | A | C | -1.4602 | |
| 431 | L | C | -1.4407 | |
| 432 | H | C | -1.7303 | |
| 433 | N | C | -1.4179 | |
| 434 | H | C | -0.9078 | |
| 435 | Y | C | -0.3953 | |
| 436 | T | C | -0.7829 | |
| 437 | Q | C | -1.0972 | |
| 438 | K | C | -1.0263 | |
| 439 | S | C | -0.0677 | |
| 440 | L | C | 0.0000 | |
| 441 | S | C | 0.0000 | |
| 442 | L | C | 0.2250 | |
| 443 | S | C | 0.4206 | |
| 444 | L | C | 1.4970 | |
| 445 | G | C | 0.4789 | |
| 1 | Q | D | -1.4448 | |
| 2 | V | D | -0.8196 | |
| 3 | Q | D | -1.4441 | |
| 4 | L | D | 0.0000 | |
| 5 | V | D | -0.6339 | |
| 6 | Q | D | 0.0000 | |
| 7 | S | D | -1.0452 | |
| 8 | G | D | -1.3717 | |
| 9 | A | D | -1.0577 | |
| 10 | E | D | -1.5743 | |
| 11 | V | D | -0.8848 | |
| 12 | K | D | -1.7583 | |
| 13 | K | D | -2.4840 | |
| 14 | P | D | -2.2331 | |
| 15 | G | D | -1.6600 | |
| 16 | S | D | -1.3204 | |
| 17 | S | D | -1.4365 | |
| 18 | V | D | 0.0000 | |
| 19 | K | D | -2.1023 | |
| 20 | V | D | 0.0000 | |
| 21 | S | D | -0.8224 | |
| 22 | C | D | 0.0000 | |
| 23 | K | D | -1.5744 | |
| 24 | A | D | 0.0000 | |
| 25 | S | D | -1.0209 | |
| 26 | G | D | -0.9920 | |
| 27 | Y | D | -0.6442 | |
| 28 | S | D | -0.8801 | |
| 29 | F | D | 0.0000 | |
| 30 | T | D | -0.8521 | |
| 31 | D | D | -1.4209 | |
| 32 | Y | D | -0.4014 | |
| 33 | H | D | -0.2206 | |
| 34 | I | 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 | -0.5619 | |
| 40 | A | D | -0.9824 | |
| 41 | P | D | -1.0050 | |
| 42 | G | D | -1.2173 | |
| 43 | Q | D | -1.8302 | |
| 44 | G | D | -1.2332 | |
| 45 | L | D | 0.0000 | |
| 46 | E | D | -0.5736 | |
| 47 | W | D | 0.0000 | |
| 48 | M | D | 0.0000 | |
| 49 | G | D | 0.0000 | |
| 50 | V | D | 0.0000 | |
| 51 | I | D | 0.0000 | |
| 52 | N | D | -0.0996 | |
| 53 | P | D | -0.2635 | |
| 54 | M | D | 0.6638 | |
| 55 | Y | D | 1.5113 | |
| 56 | G | D | 0.0481 | |
| 57 | T | D | -0.0496 | |
| 58 | T | D | -0.6554 | |
| 59 | D | D | -1.4417 | |
| 60 | Y | D | -1.3746 | |
| 61 | N | D | -1.8726 | |
| 62 | Q | D | -3.0631 | |
| 63 | R | D | -3.0418 | |
| 64 | F | D | 0.0000 | |
| 65 | K | D | -3.1651 | |
| 66 | G | D | -1.9018 | |
| 67 | R | D | -1.7240 | |
| 68 | V | D | 0.0000 | |
| 69 | T | D | -1.0365 | |
| 70 | I | D | 0.0000 | |
| 71 | T | D | -0.5769 | |
| 72 | A | D | -0.8343 | |
| 73 | D | D | -1.7945 | |
| 74 | E | D | -2.2160 | |
| 75 | S | D | -1.3484 | |
| 76 | T | D | -1.2294 | |
| 77 | S | D | -1.4756 | |
| 78 | T | D | 0.0000 | |
| 79 | A | D | 0.0000 | |
| 80 | Y | D | -0.7361 | |
| 81 | M | D | 0.0000 | |
| 82 | E | D | -1.5852 | |
| 83 | L | D | 0.0000 | |
| 84 | S | D | -1.2071 | |
| 85 | S | D | -1.2853 | |
| 86 | L | D | 0.0000 | |
| 87 | R | D | -3.0928 | |
| 88 | S | D | -2.3631 | |
| 89 | E | D | -2.5683 | |
| 90 | D | D | 0.0000 | |
| 91 | T | D | -0.9760 | |
| 92 | A | D | 0.0000 | |
| 93 | V | D | 0.2450 | |
| 94 | Y | D | 0.0000 | |
| 95 | Y | D | 0.0000 | |
| 96 | C | D | 0.0000 | |
| 97 | A | D | 0.0000 | |
| 98 | R | D | 0.0000 | |
| 99 | Y | D | 0.5190 | |
| 100 | D | D | 1.0120 | |
| 101 | Y | D | 2.0273 | |
| 102 | F | D | 2.5361 | |
| 103 | T | D | 0.0000 | |
| 104 | G | D | 0.0000 | |
| 105 | T | D | 0.0000 | |
| 106 | G | D | 0.0000 | |
| 107 | V | D | 0.0000 | |
| 108 | Y | D | 0.0968 | |
| 109 | W | D | -0.2709 | |
| 110 | G | D | 0.0000 | |
| 111 | Q | D | -1.4375 | |
| 112 | G | D | -0.6846 | |
| 113 | T | D | 0.0000 | |
| 114 | L | D | -0.1800 | |
| 115 | V | D | 0.0000 | |
| 116 | T | D | 0.0000 | |
| 117 | V | D | 0.0000 | |
| 118 | S | D | -1.2263 | |
| 119 | S | D | -1.0181 | |
| 120 | A | D | -0.6357 | |
| 121 | S | D | -0.7285 | |
| 122 | T | D | -0.9562 | |
| 123 | K | D | -1.3323 | |
| 124 | G | D | -1.4246 | |
| 125 | P | D | 0.0000 | |
| 126 | S | D | -0.3935 | |
| 127 | V | D | 0.0000 | |
| 128 | F | D | 0.0000 | |
| 129 | P | D | -0.8546 | |
| 130 | L | D | 0.0000 | |
| 131 | A | D | -0.2860 | |
| 132 | P | D | -0.2506 | |
| 133 | C | D | 0.0000 | |
| 134 | S | D | -0.5598 | |
| 135 | R | D | -0.6469 | |
| 136 | S | D | -0.6966 | |
| 137 | T | D | -0.6821 | |
| 138 | S | D | -0.9894 | |
| 139 | E | D | -1.5344 | |
| 140 | S | D | -1.0360 | |
| 141 | T | D | -0.6901 | |
| 142 | A | D | 0.0000 | |
| 143 | A | D | 0.0000 | |
| 144 | L | D | 0.0000 | |
| 145 | G | D | 0.0000 | |
| 146 | C | D | 0.0000 | |
| 147 | L | D | 0.0000 | |
| 148 | V | D | 0.0000 | |
| 149 | K | D | 0.0000 | |
| 150 | D | D | -0.3742 | |
| 151 | Y | D | 0.0000 | |
| 152 | F | D | 0.0000 | |
| 153 | P | D | 0.0000 | |
| 154 | E | D | -0.4883 | |
| 155 | P | D | -0.7599 | |
| 156 | V | D | 0.0000 | |
| 157 | T | D | -0.5989 | |
| 158 | V | D | -0.1210 | |
| 159 | S | D | -0.2952 | |
| 160 | W | D | 0.0000 | |
| 161 | N | D | 0.0000 | |
| 162 | S | D | -0.6847 | |
| 163 | G | D | -0.5710 | |
| 164 | A | D | 0.0000 | |
| 165 | L | D | -0.5507 | |
| 166 | T | D | -0.5677 | |
| 167 | S | D | -0.6454 | |
| 168 | G | D | -0.3012 | |
| 169 | V | D | 0.2306 | |
| 170 | H | D | -0.1860 | |
| 171 | T | D | 0.0724 | |
| 172 | F | D | 0.0000 | |
| 173 | P | D | -0.1825 | |
| 174 | A | D | 0.3335 | |
| 175 | V | D | 0.6301 | |
| 176 | L | D | 1.2985 | |
| 177 | Q | D | 0.3543 | |
| 178 | S | D | -0.0350 | |
| 179 | S | D | -0.1860 | |
| 180 | G | D | 0.0742 | |
| 181 | L | D | 0.1676 | |
| 182 | Y | D | 0.4936 | |
| 183 | S | D | 0.0000 | |
| 184 | L | D | 0.0000 | |
| 185 | S | D | 0.0000 | |
| 186 | S | D | 0.0000 | |
| 187 | V | D | 0.0000 | |
| 188 | V | D | 0.0000 | |
| 189 | T | D | -0.0666 | |
| 190 | V | D | 0.0000 | |
| 191 | P | D | -0.5383 | |
| 192 | S | D | 0.0000 | |
| 193 | S | D | -0.3870 | |
| 194 | S | D | 0.0000 | |
| 195 | L | D | -0.4095 | |
| 196 | G | D | -0.6122 | |
| 197 | T | D | -0.4845 | |
| 198 | K | D | -0.5789 | |
| 199 | T | D | -0.7789 | |
| 200 | Y | D | 0.0000 | |
| 201 | T | D | 0.0000 | |
| 202 | C | D | 0.0000 | |
| 203 | N | D | -1.3686 | |
| 204 | V | D | 0.0000 | |
| 205 | D | D | -1.8618 | |
| 206 | H | D | 0.0000 | |
| 207 | K | D | -2.9832 | |
| 208 | P | D | -1.8941 | |
| 209 | S | D | -1.9380 | |
| 210 | N | D | -2.6205 | |
| 211 | T | D | -2.0721 | |
| 212 | K | D | -2.6697 | |
| 213 | V | D | -1.5255 | |
| 214 | D | D | -2.3437 | |
| 215 | K | D | -1.8154 | |
| 216 | R | D | -2.0045 | |
| 217 | V | D | 0.0000 | |
| 218 | E | D | -1.3340 | |
| 219 | S | D | 0.0000 | |
| 220 | K | D | -1.0561 | |
| 221 | Y | D | 0.0000 | |
| 222 | G | D | 0.0000 | |
| 223 | P | D | 0.0000 | |
| 224 | P | D | -0.5456 | |
| 225 | C | D | -0.3214 | |
| 226 | P | D | -0.4719 | |
| 227 | P | D | -0.3929 | |
| 228 | C | D | -0.2264 | |
| 229 | P | D | -0.6707 | |
| 230 | A | D | -0.4545 | |
| 231 | P | D | -0.3939 | |
| 232 | E | D | -0.9123 | |
| 233 | F | D | 1.3946 | |
| 234 | L | D | 1.6857 | |
| 235 | G | D | 0.2321 | |
| 236 | G | D | -0.0753 | |
| 237 | P | D | 0.0000 | |
| 238 | S | D | 0.0000 | |
| 239 | V | D | 0.0000 | |
| 240 | F | D | 1.1595 | |
| 241 | L | D | 0.7996 | |
| 242 | F | D | 1.0919 | |
| 243 | P | D | -0.1660 | |
| 244 | P | D | 0.0000 | |
| 245 | K | D | -2.3239 | |
| 246 | P | D | -1.5058 | |
| 247 | K | D | -1.3816 | |
| 248 | D | D | -1.4744 | |
| 249 | T | D | 0.0000 | |
| 250 | L | D | 0.0000 | |
| 251 | M | D | 0.1090 | |
| 252 | I | D | 1.1803 | |
| 253 | S | D | -0.0893 | |
| 254 | R | D | -1.5447 | |
| 255 | T | D | -0.8860 | |
| 256 | P | D | 0.0000 | |
| 257 | E | D | -1.2862 | |
| 258 | V | D | 0.0000 | |
| 259 | T | D | 0.1388 | |
| 260 | C | D | 0.0000 | |
| 261 | V | D | 0.0000 | |
| 262 | V | D | 0.0000 | |
| 263 | V | D | -0.7198 | |
| 264 | D | D | -0.8108 | |
| 265 | V | D | 0.0000 | |
| 266 | S | D | -2.1385 | |
| 267 | Q | D | -2.5298 | |
| 268 | E | D | -3.0542 | |
| 269 | D | D | -2.8362 | |
| 270 | P | D | -2.7198 | |
| 271 | E | D | -3.0425 | |
| 272 | V | D | -1.8281 | |
| 273 | Q | D | -1.7463 | |
| 274 | F | D | -1.1559 | |
| 275 | N | D | -1.2428 | |
| 276 | W | D | 0.0000 | |
| 277 | Y | D | -0.9903 | |
| 278 | V | D | -1.0901 | |
| 279 | D | D | -2.2286 | |
| 280 | G | D | -1.0629 | |
| 281 | V | D | 0.2070 | |
| 282 | E | D | -1.4666 | |
| 283 | V | D | -0.9112 | |
| 284 | H | D | -2.0545 | |
| 285 | N | D | -2.2542 | |
| 286 | A | D | -1.8907 | |
| 287 | K | D | -2.4147 | |
| 288 | T | D | -1.8229 | |
| 289 | K | D | -2.2023 | |
| 290 | P | D | -2.2864 | |
| 291 | R | D | -3.3960 | |
| 292 | E | D | -3.6233 | |
| 293 | E | D | -3.1980 | |
| 294 | Q | D | -1.2766 | |
| 295 | F | D | 0.7835 | |
| 296 | N | D | -0.3463 | |
| 297 | S | D | -1.0021 | |
| 298 | T | D | -1.7698 | |
| 299 | Y | D | 0.0000 | |
| 300 | R | D | -2.3901 | |
| 301 | V | D | 0.0000 | |
| 302 | V | D | 0.0000 | |
| 303 | S | D | 0.0000 | |
| 304 | V | D | 0.0000 | |
| 305 | L | D | 0.0000 | |
| 306 | T | D | -0.7271 | |
| 307 | V | D | 0.0000 | |
| 308 | L | D | 0.5370 | |
| 309 | H | D | -0.2884 | |
| 310 | Q | D | -1.2357 | |
| 311 | D | D | -1.5734 | |
| 312 | W | D | 0.0000 | |
| 313 | L | D | -1.2125 | |
| 314 | N | D | -2.1647 | |
| 315 | G | D | -2.1516 | |
| 316 | K | D | -2.3282 | |
| 317 | E | D | -2.3179 | |
| 318 | Y | D | 0.0000 | |
| 319 | K | D | -1.7669 | |
| 320 | C | D | 0.0000 | |
| 321 | K | D | -1.4678 | |
| 322 | V | D | 0.0000 | |
| 323 | S | D | -1.3406 | |
| 324 | N | D | 0.0000 | |
| 325 | K | D | -2.7178 | |
| 326 | G | D | -1.6580 | |
| 327 | L | D | -0.7228 | |
| 328 | P | D | -0.4924 | |
| 329 | S | D | -0.7108 | |
| 330 | S | D | -0.9255 | |
| 331 | I | D | -0.6714 | |
| 332 | E | D | -2.0684 | |
| 333 | K | D | -1.2676 | |
| 334 | T | D | -1.0692 | |
| 335 | I | D | -0.2757 | |
| 336 | S | D | -1.2554 | |
| 337 | K | D | -1.3269 | |
| 338 | A | D | -1.1184 | |
| 339 | K | D | -2.1640 | |
| 340 | G | D | -1.5110 | |
| 341 | Q | D | -1.7207 | |
| 342 | P | D | -1.5487 | |
| 343 | R | D | -1.8326 | |
| 344 | E | D | -2.6816 | |
| 345 | P | D | 0.0000 | |
| 346 | Q | D | -1.4552 | |
| 347 | V | D | -0.6066 | |
| 348 | Y | D | 0.3474 | |
| 349 | T | D | 0.3400 | |
| 350 | L | D | 0.4322 | |
| 351 | P | D | 0.1719 | |
| 352 | P | D | -0.9127 | |
| 353 | S | D | -1.3290 | |
| 354 | Q | D | -2.3976 | |
| 355 | E | D | -2.8557 | |
| 356 | E | D | -2.5078 | |
| 357 | M | D | -2.2765 | |
| 358 | T | D | -2.1555 | |
| 359 | K | D | -3.2977 | |
| 360 | N | D | -2.9472 | |
| 361 | Q | D | -2.6311 | |
| 362 | V | D | 0.0000 | |
| 363 | S | D | -0.9653 | |
| 364 | L | D | 0.0000 | |
| 365 | T | D | -0.3286 | |
| 366 | C | D | 0.0000 | |
| 367 | L | D | 0.3136 | |
| 368 | V | D | 0.0000 | |
| 369 | K | D | -0.9321 | |
| 370 | G | D | -1.2238 | |
| 371 | F | D | 0.0000 | |
| 372 | Y | D | 0.0000 | |
| 373 | P | D | 0.0000 | |
| 374 | S | D | -0.4382 | |
| 375 | D | D | -1.2420 | |
| 376 | I | D | 0.0000 | |
| 377 | A | D | 0.0000 | |
| 378 | V | D | 0.0000 | |
| 379 | E | D | -1.4058 | |
| 380 | W | D | 0.0000 | |
| 381 | E | D | -1.7398 | |
| 382 | S | D | 0.0000 | |
| 383 | N | D | -1.8514 | |
| 384 | G | D | -1.7483 | |
| 385 | Q | D | -2.2804 | |
| 386 | P | D | -1.9683 | |
| 387 | E | D | -1.9534 | |
| 388 | N | D | -2.4145 | |
| 389 | N | D | -2.2790 | |
| 390 | Y | D | -2.1834 | |
| 391 | K | D | -2.5354 | |
| 392 | T | D | -1.1863 | |
| 393 | T | D | -0.5568 | |
| 394 | P | D | -0.3745 | |
| 395 | P | D | -0.1420 | |
| 396 | V | D | -0.0063 | |
| 397 | L | D | 0.0000 | |
| 398 | D | D | -0.8482 | |
| 399 | S | D | -0.9157 | |
| 400 | D | D | -1.0576 | |
| 401 | G | D | 0.0000 | |
| 402 | S | D | 0.0000 | |
| 403 | F | D | -0.2275 | |
| 404 | F | D | -0.0172 | |
| 405 | L | D | 0.0000 | |
| 406 | Y | D | 0.0732 | |
| 407 | S | D | 0.0000 | |
| 408 | R | D | -2.0524 | |
| 409 | L | D | 0.0000 | |
| 410 | T | D | -1.5622 | |
| 411 | V | D | 0.0000 | |
| 412 | D | D | -2.4643 | |
| 413 | K | D | -2.9323 | |
| 414 | S | D | -2.4285 | |
| 415 | R | D | -2.2082 | |
| 416 | W | D | 0.0000 | |
| 417 | Q | D | -2.6309 | |
| 418 | E | D | -2.7736 | |
| 419 | G | D | -1.2477 | |
| 420 | N | D | -1.0637 | |
| 421 | V | D | 0.4369 | |
| 422 | F | D | 0.0000 | |
| 423 | S | D | 0.0000 | |
| 424 | C | D | 0.0000 | |
| 425 | S | D | 0.0000 | |
| 426 | V | D | 0.0000 | |
| 427 | M | D | 0.0000 | |
| 428 | H | D | 0.0000 | |
| 429 | E | D | -1.1841 | |
| 430 | A | D | -1.5383 | |
| 431 | L | D | 0.0000 | |
| 432 | H | D | -1.8528 | |
| 433 | N | D | -1.5193 | |
| 434 | H | D | -1.0725 | |
| 435 | Y | D | -0.6627 | |
| 436 | T | D | -1.0388 | |
| 437 | Q | D | -1.4787 | |
| 438 | K | D | -1.1450 | |
| 439 | S | D | -0.1369 | |
| 440 | L | D | 0.0000 | |
| 441 | S | D | 0.0000 | |
| 442 | L | D | 0.2233 | |
| 443 | S | D | 0.4241 | |
| 444 | L | D | 1.5043 | |
| 445 | G | D | 0.4910 |
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 | -0.6369 | 5.3298 | View | CSV | PDB |
| 4.5 | -0.6903 | 5.1552 | View | CSV | PDB |
| 5.0 | -0.7542 | 4.9418 | View | CSV | PDB |
| 5.5 | -0.8159 | 4.8453 | View | CSV | PDB |
| 6.0 | -0.862 | 4.8507 | View | CSV | PDB |
| 6.5 | -0.8821 | 4.8593 | View | CSV | PDB |
| 7.0 | -0.8757 | 4.8699 | View | CSV | PDB |
| 7.5 | -0.852 | 4.8813 | View | CSV | PDB |
| 8.0 | -0.8192 | 4.893 | View | CSV | PDB |
| 8.5 | -0.7807 | 4.9044 | View | CSV | PDB |
| 9.0 | -0.7369 | 4.9146 | 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