| Chain sequence(s) |
A: QTMKGLDIQKVAGTWYSLAMAASDISLLDAQQSAPLRVYVEELKPTPEGDLEILLQKWENDECAQKKIIAEKKTKIPAVFKIDALNENKVLVLDTDYKKYLLFCMENSAEPEQSLVCQCLVRTPEVDDEALEKFDKALKALPMHIRLSFNPTQLEEQC
C: QTMKGLDIQKVAGTWYSLAMAASDISLLDAQQSAPLRVYVEELKPTPEGDLEILLQKWENDECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYKKYLLFCMENSAEPEQSLVCQCLVRTPEVDDEALEKFDKALKALPMHIRLSFNPTQLEEQC B: QTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPLRVYVEELKPTPEEGDLEILLQKWENDECAQKKIIAEKTKIPAVFKKIDALNENKVLVLDTDYKKYLLFCMENSAEPEQSLVCQCLVRTPEVDDEALEKFDKALKALPMHIRRLSFNPTQLEEQC D: QTMKGLDIQKVAGTWYSLAMAASDISLLDAQQSAPLRVYVEELKPTPEGDLEILLQKWENDECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYKKYLLFCMENSAEPEQSLVCQCLVRTPEVDDEALEKFDKALKALPMHIRLSFNPTQLEEQC 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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:13:55)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/710447cec9c267d/tmp/folded.pdb (00:13:55)
[INFO] Main: Simulation completed successfully. (00:17:32)
|
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 |
|---|---|---|---|---|
| 5 | Q | A | -1.3548 | |
| 6 | T | A | -0.8133 | |
| 7 | M | A | -0.9795 | |
| 8 | K | A | -2.0812 | |
| 9 | G | A | -1.4212 | |
| 10 | L | A | -1.3294 | |
| 11 | D | A | -1.6712 | |
| 12 | I | A | 0.0000 | |
| 13 | Q | A | -2.4251 | |
| 14 | K | A | -2.7869 | |
| 15 | V | A | 0.0000 | |
| 16 | A | A | -1.4451 | |
| 17 | G | A | -1.0162 | |
| 18 | T | A | -0.6553 | |
| 19 | W | A | 0.0000 | |
| 20 | Y | A | 0.0000 | |
| 21 | S | A | 0.0000 | |
| 22 | L | A | 0.0000 | |
| 23 | A | A | 0.0000 | |
| 24 | M | A | 0.0000 | |
| 25 | A | A | 0.0000 | |
| 26 | A | A | 0.0000 | |
| 27 | S | A | 0.0000 | |
| 28 | D | A | -1.1131 | |
| 29 | I | A | 0.0000 | |
| 30 | S | A | -0.5044 | |
| 31 | L | A | -0.3746 | |
| 32 | L | A | 0.0000 | |
| 33 | D | A | -0.8481 | |
| 34 | A | A | -1.0190 | |
| 35 | Q | A | -1.6159 | |
| 36 | S | A | -1.7170 | |
| 37 | A | A | 0.0000 | |
| 38 | P | A | -0.7552 | |
| 39 | L | A | 0.0000 | |
| 40 | R | A | 0.0000 | |
| 41 | V | A | 0.0000 | |
| 42 | Y | A | -0.2517 | |
| 43 | V | A | 0.0000 | |
| 44 | E | A | -1.0475 | |
| 45 | E | A | -1.1323 | |
| 46 | L | A | 0.0000 | |
| 47 | K | A | -1.4397 | |
| 48 | P | A | -1.8439 | |
| 49 | T | A | -1.6471 | |
| 50 | P | A | -1.5482 | |
| 51 | E | A | -2.4512 | |
| 52 | G | A | -2.1013 | |
| 53 | D | A | -2.1566 | |
| 54 | L | A | 0.0000 | |
| 55 | E | A | -0.6687 | |
| 56 | I | A | 0.0000 | |
| 57 | L | A | -1.0500 | |
| 58 | L | A | 0.0000 | |
| 59 | Q | A | 0.0000 | |
| 60 | K | A | -1.6138 | |
| 61 | W | A | -2.4985 | |
| 62 | E | A | -3.6231 | |
| 63 | N | A | -3.6319 | |
| 64 | D | A | -3.6945 | |
| 65 | E | A | -3.7329 | |
| 66 | C | A | -2.2026 | |
| 67 | A | A | -2.2589 | |
| 68 | Q | A | -2.2337 | |
| 69 | K | A | -1.8185 | |
| 70 | K | A | -1.8444 | |
| 71 | I | A | 0.0000 | |
| 72 | I | A | 0.2201 | |
| 73 | A | A | 0.0000 | |
| 74 | E | A | -2.8464 | |
| 75 | K | A | -2.5478 | |
| 76 | T | A | -1.7862 | |
| 77 | K | A | -1.5537 | |
| 78 | I | A | -0.4438 | |
| 79 | P | A | -0.8914 | |
| 80 | A | A | 0.0000 | |
| 81 | V | A | 0.0000 | |
| 82 | F | A | 0.0000 | |
| 83 | K | A | -2.2378 | |
| 84 | I | A | 0.0000 | |
| 85 | D | A | -2.3088 | |
| 86 | A | A | -1.4515 | |
| 87 | L | A | -1.0214 | |
| 88 | N | A | -1.8000 | |
| 89 | E | A | 0.0000 | |
| 90 | N | A | -1.8382 | |
| 91 | K | A | -1.6857 | |
| 92 | V | A | 0.0000 | |
| 93 | L | A | -0.1176 | |
| 94 | V | A | 0.0000 | |
| 95 | L | A | -0.4624 | |
| 96 | D | A | -0.7878 | |
| 97 | T | A | 0.0000 | |
| 98 | D | A | -1.3927 | |
| 99 | Y | A | -1.7987 | |
| 100 | K | A | -2.3925 | |
| 101 | K | A | -1.8752 | |
| 102 | Y | A | 0.0000 | |
| 103 | L | A | 0.0000 | |
| 104 | L | A | 0.0000 | |
| 105 | F | A | 0.0000 | |
| 106 | C | A | 0.0000 | |
| 107 | M | A | 0.0000 | |
| 108 | E | A | -1.5805 | |
| 109 | N | A | -2.2719 | |
| 110 | S | A | -1.5001 | |
| 111 | A | A | -1.4818 | |
| 112 | E | A | -2.9730 | |
| 113 | P | A | -2.5216 | |
| 114 | E | A | -3.1647 | |
| 115 | Q | A | -2.8450 | |
| 116 | S | A | 0.0000 | |
| 117 | L | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | C | A | 0.0000 | |
| 120 | Q | A | 0.0000 | |
| 121 | C | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | V | A | 0.0000 | |
| 124 | R | A | -1.3634 | |
| 125 | T | A | -1.0525 | |
| 126 | P | A | -1.3515 | |
| 127 | E | A | -1.9102 | |
| 128 | V | A | -0.7387 | |
| 129 | D | A | -1.9468 | |
| 130 | D | A | -3.0083 | |
| 131 | E | A | -2.9661 | |
| 132 | A | A | 0.0000 | |
| 133 | L | A | -2.2607 | |
| 134 | E | A | -3.6679 | |
| 135 | K | A | -2.8146 | |
| 136 | F | A | 0.0000 | |
| 137 | D | A | -3.0051 | |
| 138 | K | A | -3.2573 | |
| 139 | A | A | -2.0910 | |
| 140 | L | A | -1.7977 | |
| 141 | K | A | -2.3258 | |
| 142 | A | A | -1.1770 | |
| 143 | L | A | -0.8467 | |
| 144 | P | A | -0.8797 | |
| 145 | M | A | -0.8394 | |
| 146 | H | A | -0.6925 | |
| 147 | I | A | 0.0000 | |
| 148 | R | A | -0.7082 | |
| 149 | L | A | 0.0000 | |
| 150 | S | A | 0.0000 | |
| 151 | F | A | 0.0000 | |
| 152 | N | A | -1.0147 | |
| 153 | P | A | -1.3242 | |
| 154 | T | A | -1.1985 | |
| 155 | Q | A | -1.7135 | |
| 156 | L | A | 0.0000 | |
| 157 | E | A | -1.9381 | |
| 158 | E | A | -2.6990 | |
| 159 | Q | A | -2.3983 | |
| 160 | C | A | -1.2982 | |
| 5 | Q | B | -1.4370 | |
| 6 | T | B | -1.0109 | |
| 7 | M | B | 0.0000 | |
| 8 | K | B | -2.1800 | |
| 9 | G | B | -1.5446 | |
| 10 | L | B | 0.0000 | |
| 11 | D | B | -1.8156 | |
| 12 | I | B | 0.0000 | |
| 13 | Q | B | -2.4820 | |
| 14 | K | B | -2.8438 | |
| 15 | V | B | 0.0000 | |
| 16 | A | B | -1.4422 | |
| 17 | G | B | -1.0123 | |
| 18 | T | B | -0.5748 | |
| 19 | W | B | 0.0000 | |
| 20 | Y | B | -0.4393 | |
| 21 | S | B | 0.0000 | |
| 22 | L | B | 0.0000 | |
| 23 | A | B | 0.0000 | |
| 24 | M | B | 0.0000 | |
| 25 | A | B | 0.0000 | |
| 26 | A | B | 0.0000 | |
| 27 | S | B | 0.0000 | |
| 28 | D | B | -1.1930 | |
| 29 | I | B | 0.0000 | |
| 30 | S | B | -0.5677 | |
| 31 | L | B | -0.4803 | |
| 32 | L | B | 0.0000 | |
| 33 | D | B | -0.8905 | |
| 34 | A | B | -0.8365 | |
| 35 | Q | B | -1.0990 | |
| 36 | S | B | -1.4685 | |
| 37 | A | B | 0.0000 | |
| 38 | P | B | -0.6530 | |
| 39 | L | B | 0.0000 | |
| 40 | R | B | 0.0000 | |
| 41 | V | B | 0.0000 | |
| 42 | Y | B | -0.2717 | |
| 43 | V | B | 0.0000 | |
| 44 | E | B | -0.9530 | |
| 45 | E | B | -1.0943 | |
| 46 | L | B | 0.0000 | |
| 47 | K | B | -1.5362 | |
| 48 | P | B | -1.8875 | |
| 49 | T | B | -1.6347 | |
| 50 | P | B | -1.5500 | |
| 51 | E | B | -2.4616 | |
| 52 | G | B | -2.1260 | |
| 53 | D | B | -2.2857 | |
| 54 | L | B | 0.0000 | |
| 55 | E | B | -0.9457 | |
| 56 | I | B | 0.0000 | |
| 57 | L | B | -1.2138 | |
| 58 | L | B | 0.0000 | |
| 59 | Q | B | -1.5626 | |
| 60 | K | B | 0.0000 | |
| 61 | W | B | -2.3615 | |
| 62 | E | B | -3.4941 | |
| 63 | N | B | -3.5813 | |
| 64 | D | B | -3.6967 | |
| 65 | E | B | -3.7095 | |
| 66 | C | B | -2.4641 | |
| 67 | A | B | -2.2044 | |
| 68 | Q | B | -2.3405 | |
| 69 | K | B | -1.9643 | |
| 70 | K | B | -1.9853 | |
| 71 | I | B | 0.0000 | |
| 72 | I | B | -0.2920 | |
| 73 | A | B | 0.0000 | |
| 74 | E | B | -2.6819 | |
| 75 | K | B | -2.4740 | |
| 76 | T | B | -1.7223 | |
| 77 | K | B | -1.5878 | |
| 78 | I | B | -0.5870 | |
| 79 | P | B | -0.9201 | |
| 80 | A | B | 0.0000 | |
| 81 | V | B | 0.0000 | |
| 82 | F | B | 0.0000 | |
| 83 | K | B | -2.0919 | |
| 84 | I | B | 0.0000 | |
| 85 | D | B | -2.2499 | |
| 86 | A | B | -1.5221 | |
| 87 | L | B | -0.9111 | |
| 88 | N | B | -1.8437 | |
| 89 | E | B | 0.0000 | |
| 90 | N | B | -1.8736 | |
| 91 | K | B | -1.6942 | |
| 92 | V | B | 0.0000 | |
| 93 | L | B | 0.0000 | |
| 94 | V | B | 0.0000 | |
| 95 | L | B | -0.7429 | |
| 96 | D | B | -1.3423 | |
| 97 | T | B | 0.0000 | |
| 98 | D | B | -1.6133 | |
| 99 | Y | B | -1.9181 | |
| 100 | K | B | -2.4067 | |
| 101 | K | B | -1.8898 | |
| 102 | Y | B | 0.0000 | |
| 103 | L | B | 0.0000 | |
| 104 | L | B | 0.0000 | |
| 105 | F | B | 0.0000 | |
| 106 | C | B | 0.0000 | |
| 107 | M | B | 0.0000 | |
| 108 | E | B | -1.5904 | |
| 109 | N | B | -2.1373 | |
| 110 | S | B | -1.5046 | |
| 111 | A | B | -1.4472 | |
| 112 | E | B | -2.9044 | |
| 113 | P | B | -2.5302 | |
| 114 | E | B | -3.1423 | |
| 115 | Q | B | -2.8282 | |
| 116 | S | B | 0.0000 | |
| 117 | L | B | 0.0000 | |
| 118 | V | B | 0.0000 | |
| 119 | C | B | 0.0000 | |
| 120 | Q | B | 0.0000 | |
| 121 | C | B | 0.0000 | |
| 122 | L | B | 0.0000 | |
| 123 | V | B | 0.0000 | |
| 124 | R | B | -1.2750 | |
| 125 | T | B | -0.8307 | |
| 126 | P | B | -1.1550 | |
| 127 | E | B | -1.6343 | |
| 128 | V | B | -0.1897 | |
| 129 | D | B | -1.6512 | |
| 130 | D | B | -2.9747 | |
| 131 | E | B | -3.2961 | |
| 132 | A | B | 0.0000 | |
| 133 | L | B | -2.2346 | |
| 134 | E | B | -3.7544 | |
| 135 | K | B | -3.1660 | |
| 136 | F | B | 0.0000 | |
| 137 | D | B | -3.0294 | |
| 138 | K | B | -3.2636 | |
| 139 | A | B | -2.1346 | |
| 140 | L | B | 0.0000 | |
| 141 | K | B | -2.4374 | |
| 142 | A | B | -0.9808 | |
| 143 | L | B | -0.7317 | |
| 144 | P | B | -0.8215 | |
| 145 | M | B | 0.0000 | |
| 146 | H | B | -0.6602 | |
| 147 | I | B | 0.0000 | |
| 148 | R | B | -0.8304 | |
| 149 | L | B | 0.0000 | |
| 150 | S | B | -0.2680 | |
| 151 | F | B | 0.0000 | |
| 152 | N | B | -1.2382 | |
| 153 | P | B | -1.4421 | |
| 154 | T | B | -1.7078 | |
| 155 | Q | B | -2.0839 | |
| 156 | L | B | -2.0302 | |
| 157 | E | B | -3.3394 | |
| 158 | E | B | -3.4717 | |
| 159 | Q | B | -2.8019 | |
| 160 | C | B | -1.8361 | |
| 5 | Q | C | -1.3791 | |
| 6 | T | C | -0.9332 | |
| 7 | M | C | -1.1062 | |
| 8 | K | C | -2.0593 | |
| 9 | G | C | -1.3556 | |
| 10 | L | C | -1.3097 | |
| 11 | D | C | -1.6955 | |
| 12 | I | C | 0.0000 | |
| 13 | Q | C | -2.5906 | |
| 14 | K | C | -2.8879 | |
| 15 | V | C | 0.0000 | |
| 16 | A | C | -1.8912 | |
| 17 | G | C | -1.4734 | |
| 18 | T | C | -0.7902 | |
| 19 | W | C | 0.0000 | |
| 20 | Y | C | -0.5217 | |
| 21 | S | C | 0.0000 | |
| 22 | L | C | 0.0000 | |
| 23 | A | C | 0.0000 | |
| 24 | M | C | 0.0000 | |
| 25 | A | C | 0.0000 | |
| 26 | A | C | 0.0000 | |
| 27 | S | C | 0.0000 | |
| 28 | D | C | -0.9482 | |
| 29 | I | C | 0.1863 | |
| 30 | S | C | -0.3957 | |
| 31 | L | C | 0.0000 | |
| 32 | L | C | 0.0000 | |
| 33 | D | C | -1.4932 | |
| 34 | A | C | -1.1396 | |
| 35 | Q | C | -1.8649 | |
| 36 | S | C | -1.8907 | |
| 37 | A | C | -1.0536 | |
| 38 | P | C | -1.0893 | |
| 39 | L | C | 0.0000 | |
| 40 | R | C | -0.9043 | |
| 41 | V | C | 0.0000 | |
| 42 | Y | C | 0.0000 | |
| 43 | V | C | 0.0000 | |
| 44 | E | C | -1.0554 | |
| 45 | E | C | -1.3257 | |
| 46 | L | C | 0.0000 | |
| 47 | K | C | -2.5170 | |
| 48 | P | C | -2.2053 | |
| 49 | T | C | -1.9671 | |
| 50 | P | C | -1.6385 | |
| 51 | E | C | -2.5360 | |
| 52 | G | C | -2.2889 | |
| 53 | D | C | -2.5564 | |
| 54 | L | C | 0.0000 | |
| 55 | E | C | -1.1731 | |
| 56 | I | C | 0.0000 | |
| 57 | L | C | -1.3543 | |
| 58 | L | C | 0.0000 | |
| 59 | Q | C | 0.0000 | |
| 60 | K | C | 0.0000 | |
| 61 | W | C | -2.4786 | |
| 62 | E | C | -3.5703 | |
| 63 | N | C | -3.6070 | |
| 64 | D | C | -3.6832 | |
| 65 | E | C | -3.7015 | |
| 66 | C | C | -2.2397 | |
| 67 | A | C | -2.1410 | |
| 68 | Q | C | -2.1597 | |
| 69 | K | C | -1.9517 | |
| 70 | K | C | -1.9574 | |
| 71 | I | C | 0.0000 | |
| 72 | I | C | -0.2492 | |
| 73 | A | C | 0.0000 | |
| 74 | E | C | -3.1170 | |
| 75 | K | C | -3.2563 | |
| 76 | T | C | -2.2408 | |
| 77 | K | C | -1.4218 | |
| 78 | I | C | -0.4538 | |
| 79 | P | C | -0.8508 | |
| 80 | A | C | 0.0000 | |
| 81 | V | C | 0.0000 | |
| 82 | F | C | 0.0000 | |
| 83 | K | C | -2.1824 | |
| 84 | I | C | 0.0000 | |
| 85 | D | C | -2.3315 | |
| 86 | A | C | -1.4567 | |
| 87 | L | C | -0.9587 | |
| 88 | N | C | -1.8059 | |
| 89 | E | C | 0.0000 | |
| 90 | N | C | -1.6830 | |
| 91 | K | C | -1.4064 | |
| 92 | V | C | 0.0000 | |
| 93 | L | C | -0.0529 | |
| 94 | V | C | 0.0000 | |
| 95 | L | C | -0.4074 | |
| 96 | D | C | -0.9066 | |
| 97 | T | C | 0.0000 | |
| 98 | D | C | -1.4601 | |
| 99 | Y | C | -1.8227 | |
| 100 | K | C | -2.4926 | |
| 101 | K | C | -2.1378 | |
| 102 | Y | C | 0.0000 | |
| 103 | L | C | 0.0000 | |
| 104 | L | C | 0.0000 | |
| 105 | F | C | 0.0000 | |
| 106 | C | C | 0.0000 | |
| 107 | M | C | 0.0000 | |
| 108 | E | C | -1.3354 | |
| 109 | N | C | -1.8408 | |
| 110 | S | C | -1.0406 | |
| 111 | A | C | -0.9760 | |
| 112 | E | C | -1.9268 | |
| 113 | P | C | -2.0182 | |
| 114 | E | C | -2.8873 | |
| 115 | Q | C | -2.4212 | |
| 116 | S | C | -1.8726 | |
| 117 | L | C | 0.0000 | |
| 118 | V | C | 0.0000 | |
| 119 | C | C | 0.0000 | |
| 120 | Q | C | 0.0000 | |
| 121 | C | C | 0.0000 | |
| 122 | L | C | 0.0000 | |
| 123 | V | C | 0.0000 | |
| 124 | R | C | -1.3857 | |
| 125 | T | C | -1.1690 | |
| 126 | P | C | -1.4186 | |
| 127 | E | C | -1.9537 | |
| 128 | V | C | -0.6379 | |
| 129 | D | C | -1.9534 | |
| 130 | D | C | -3.2730 | |
| 131 | E | C | -3.5158 | |
| 132 | A | C | 0.0000 | |
| 133 | L | C | -2.7110 | |
| 134 | E | C | -4.3096 | |
| 135 | K | C | -3.4748 | |
| 136 | F | C | 0.0000 | |
| 137 | D | C | -3.7860 | |
| 138 | K | C | -3.7156 | |
| 139 | A | C | -2.4465 | |
| 140 | L | C | 0.0000 | |
| 141 | K | C | -2.6536 | |
| 142 | A | C | -1.1170 | |
| 143 | L | C | -0.9719 | |
| 144 | P | C | -1.0257 | |
| 145 | M | C | 0.0000 | |
| 146 | H | C | -1.0950 | |
| 147 | I | C | 0.0000 | |
| 148 | R | C | -1.8878 | |
| 149 | L | C | -0.7936 | |
| 150 | S | C | -0.3943 | |
| 151 | F | C | -0.3995 | |
| 152 | N | C | -1.6165 | |
| 153 | P | C | -1.8254 | |
| 154 | T | C | -1.9054 | |
| 155 | Q | C | -2.2248 | |
| 156 | L | C | 0.0000 | |
| 157 | E | C | -3.4955 | |
| 158 | E | C | -3.4081 | |
| 159 | Q | C | -2.6180 | |
| 160 | C | C | -1.6711 | |
| 5 | Q | D | -1.3404 | |
| 6 | T | D | 0.0000 | |
| 7 | M | D | -1.1300 | |
| 8 | K | D | -2.0105 | |
| 9 | G | D | -1.3357 | |
| 10 | L | D | 0.0000 | |
| 11 | D | D | -1.7546 | |
| 12 | I | D | 0.0000 | |
| 13 | Q | D | -2.6791 | |
| 14 | K | D | -2.6981 | |
| 15 | V | D | 0.0000 | |
| 16 | A | D | -1.7531 | |
| 17 | G | D | -1.3575 | |
| 18 | T | D | -0.7233 | |
| 19 | W | D | 0.0000 | |
| 20 | Y | D | -0.4365 | |
| 21 | S | D | 0.0000 | |
| 22 | L | D | 0.0000 | |
| 23 | A | D | 0.0000 | |
| 24 | M | D | 0.0000 | |
| 25 | A | D | 0.0000 | |
| 26 | A | D | 0.0000 | |
| 27 | S | D | -1.1279 | |
| 28 | D | D | -0.9577 | |
| 29 | I | D | 0.2341 | |
| 30 | S | D | -0.1926 | |
| 31 | L | D | -0.4059 | |
| 32 | L | D | 0.0000 | |
| 33 | D | D | -1.5641 | |
| 34 | A | D | -0.8573 | |
| 35 | Q | D | -1.0167 | |
| 36 | S | D | -1.2109 | |
| 37 | A | D | 0.0000 | |
| 38 | P | D | -0.8319 | |
| 39 | L | D | 0.0000 | |
| 40 | R | D | -0.5113 | |
| 41 | V | D | 0.0000 | |
| 42 | Y | D | -0.3783 | |
| 43 | V | D | 0.0000 | |
| 44 | E | D | -1.1420 | |
| 45 | E | D | -1.4845 | |
| 46 | L | D | 0.0000 | |
| 47 | K | D | -1.9189 | |
| 48 | P | D | -1.7501 | |
| 49 | T | D | -1.5594 | |
| 50 | P | D | -1.6000 | |
| 51 | E | D | -2.3960 | |
| 52 | G | D | -1.8596 | |
| 53 | D | D | -1.8648 | |
| 54 | L | D | 0.0000 | |
| 55 | E | D | -0.8655 | |
| 56 | I | D | 0.0000 | |
| 57 | L | D | -1.4757 | |
| 58 | L | D | 0.0000 | |
| 59 | Q | D | 0.0000 | |
| 60 | K | D | -1.7429 | |
| 61 | W | D | -2.2608 | |
| 62 | E | D | -3.4709 | |
| 63 | N | D | -3.6298 | |
| 64 | D | D | -3.6480 | |
| 65 | E | D | -3.7554 | |
| 66 | C | D | -2.4034 | |
| 67 | A | D | -2.3417 | |
| 68 | Q | D | -2.3216 | |
| 69 | K | D | -1.9559 | |
| 70 | K | D | -2.2005 | |
| 71 | I | D | 0.0000 | |
| 72 | I | D | -0.2409 | |
| 73 | A | D | 0.0000 | |
| 74 | E | D | -2.4007 | |
| 75 | K | D | -2.1407 | |
| 76 | T | D | -1.6118 | |
| 77 | K | D | -1.6038 | |
| 78 | I | D | -0.7518 | |
| 79 | P | D | -1.0148 | |
| 80 | A | D | 0.0000 | |
| 81 | V | D | 0.0000 | |
| 82 | F | D | 0.0000 | |
| 83 | K | D | -2.4159 | |
| 84 | I | D | 0.0000 | |
| 85 | D | D | -2.4670 | |
| 86 | A | D | -1.5736 | |
| 87 | L | D | -0.9590 | |
| 88 | N | D | -1.8687 | |
| 89 | E | D | 0.0000 | |
| 90 | N | D | -2.3157 | |
| 91 | K | D | -1.9017 | |
| 92 | V | D | 0.0000 | |
| 93 | L | D | 0.0000 | |
| 94 | V | D | 0.0000 | |
| 95 | L | D | -0.5780 | |
| 96 | D | D | -0.8922 | |
| 97 | T | D | 0.0000 | |
| 98 | D | D | -1.4529 | |
| 99 | Y | D | -1.9192 | |
| 100 | K | D | -2.5847 | |
| 101 | K | D | -2.3419 | |
| 102 | Y | D | 0.0000 | |
| 103 | L | D | 0.0000 | |
| 104 | L | D | 0.0000 | |
| 105 | F | D | 0.0000 | |
| 106 | C | D | 0.0000 | |
| 107 | M | D | 0.0000 | |
| 108 | E | D | -1.4504 | |
| 109 | N | D | -1.9035 | |
| 110 | S | D | -1.1102 | |
| 111 | A | D | -1.0133 | |
| 112 | E | D | -1.9297 | |
| 113 | P | D | -2.0627 | |
| 114 | E | D | -2.8216 | |
| 115 | Q | D | -2.3274 | |
| 116 | S | D | -1.7354 | |
| 117 | L | D | -1.0872 | |
| 118 | V | D | 0.0000 | |
| 119 | C | D | 0.0000 | |
| 120 | Q | D | 0.0000 | |
| 121 | C | D | 0.0000 | |
| 122 | L | D | 0.0000 | |
| 123 | V | D | 0.0000 | |
| 124 | R | D | -1.4661 | |
| 125 | T | D | -1.2604 | |
| 126 | P | D | -1.5081 | |
| 127 | E | D | -2.3156 | |
| 128 | V | D | -1.2246 | |
| 129 | D | D | -2.2751 | |
| 130 | D | D | -3.2058 | |
| 131 | E | D | -3.3950 | |
| 132 | A | D | 0.0000 | |
| 133 | L | D | -2.5484 | |
| 134 | E | D | -4.0089 | |
| 135 | K | D | -3.3020 | |
| 136 | F | D | 0.0000 | |
| 137 | D | D | -3.9050 | |
| 138 | K | D | -3.6393 | |
| 139 | A | D | -2.4267 | |
| 140 | L | D | 0.0000 | |
| 141 | K | D | -2.7003 | |
| 142 | A | D | -1.2685 | |
| 143 | L | D | -0.9324 | |
| 144 | P | D | -1.0043 | |
| 145 | M | D | -1.1777 | |
| 146 | H | D | -1.0296 | |
| 147 | I | D | 0.0000 | |
| 148 | R | D | -1.8808 | |
| 149 | L | D | -0.7072 | |
| 150 | S | D | -0.4338 | |
| 151 | F | D | -0.5649 | |
| 152 | N | D | -1.6189 | |
| 153 | P | D | -1.9171 | |
| 154 | T | D | -1.8770 | |
| 155 | Q | D | -2.5906 | |
| 156 | L | D | -2.2876 | |
| 157 | E | D | -3.4807 | |
| 158 | E | D | -3.4738 | |
| 159 | Q | D | -2.6888 | |
| 160 | C | D | -1.6254 |
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 | -0.8513 | 1.1256 | View | CSV | PDB |
| 4.5 | -0.9585 | 0.9878 | View | CSV | PDB |
| 5.0 | -1.0955 | 0.7917 | View | CSV | PDB |
| 5.5 | -1.2372 | 0.572 | View | CSV | PDB |
| 6.0 | -1.3553 | 0.5561 | View | CSV | PDB |
| 6.5 | -1.4247 | 0.7002 | View | CSV | PDB |
| 7.0 | -1.4389 | 0.9046 | View | CSV | PDB |
| 7.5 | -1.4135 | 1.1413 | View | CSV | PDB |
| 8.0 | -1.3671 | 1.3929 | View | CSV | PDB |
| 8.5 | -1.3081 | 1.6535 | View | CSV | PDB |
| 9.0 | -1.2379 | 1.9198 | 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