| Chain sequence(s) |
A: GSLSAAIAAEILNLIRQGKAAEAAQFAFDNGVTLDEFADLVSAEAAKFSPVAAPDTPQLVTSEGMAFVKNAIVAFGLYSALCEFCRYPAQWRPLESRGPV
C: GSLSAAIAAEILNLIRQGKAAEAAQFAFDNGVTLDEFADLVSAEAAKFSPVAAPDTPQLVTSEGMAFVKNAIVAFGLYSALCEFCRYPAQWRPLESRGPV B: GSLSAAIAAEILNLIRQGKAAEAAQFAFDNGVTLDEFADLVSAEAAKFSPVAAPDTPQLVTSEGMAFVKNAIVAFGLYSALCEFCRYPAQWRPLESRGPV E: GSLSAAIAAEILNLIRQGKAAEAAQFAFDNGVTLDEFADLVSAEAAKFSPVAAPDTPQLVTSEGMAFVKNAIVAFGLYSALCEFCRYPAQWRPLESRGPV D: GSLSAAIAAEILNLIRQGKAAEAAQFAFDNGVTLDEFADLVSAEAAKFSPVAAPDTPQLVTSEGMAFVKNAIVAFGLYSALCEFCRYPAQWRPLESRGPV input PDB |
| Selected Chain(s) | A,B,C,D,E |
| 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. (00:00:01)
[INFO] FoldX: Starting FoldX energy minimization (00:00:01)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:07:44)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/5fe240d6f808bd7/tmp/folded.pdb (00:07:44)
[INFO] Main: Simulation completed successfully. (00:10:03)
|
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 | G | A | -0.6564 | |
| 2 | S | A | -0.3889 | |
| 3 | L | A | -0.3755 | |
| 4 | S | A | -0.0383 | |
| 5 | A | A | 0.0030 | |
| 6 | A | A | -0.0450 | |
| 7 | I | A | -0.2147 | |
| 8 | A | A | -0.4862 | |
| 9 | A | A | -0.5896 | |
| 10 | E | A | -1.4146 | |
| 11 | I | A | 0.0000 | |
| 12 | L | A | -1.2864 | |
| 13 | N | A | -2.1215 | |
| 14 | L | A | -1.6716 | |
| 15 | I | A | 0.0000 | |
| 16 | R | A | -3.2440 | |
| 17 | Q | A | -2.6794 | |
| 18 | G | A | -1.7477 | |
| 19 | K | A | -1.0815 | |
| 20 | A | A | 0.0000 | |
| 21 | A | A | 0.0000 | |
| 22 | E | A | -0.7150 | |
| 23 | A | A | 0.0000 | |
| 24 | A | A | 0.0000 | |
| 25 | Q | A | 0.0000 | |
| 26 | F | A | -0.4084 | |
| 27 | A | A | 0.0000 | |
| 28 | F | A | 0.0000 | |
| 29 | D | A | -1.4716 | |
| 30 | N | A | -1.4376 | |
| 31 | G | A | -1.1961 | |
| 32 | V | A | 0.0000 | |
| 33 | T | A | -0.6977 | |
| 34 | L | A | 0.0000 | |
| 35 | D | A | -1.3266 | |
| 36 | E | A | -1.1790 | |
| 37 | F | A | 0.0000 | |
| 38 | A | A | 0.0000 | |
| 39 | D | A | -2.1047 | |
| 40 | L | A | 0.0000 | |
| 41 | V | A | 0.0000 | |
| 42 | S | A | 0.0000 | |
| 43 | A | A | -1.0187 | |
| 44 | E | A | -0.9975 | |
| 45 | A | A | -0.7197 | |
| 46 | A | A | -0.6384 | |
| 47 | K | A | -1.2943 | |
| 48 | F | A | 0.0089 | |
| 49 | S | A | 0.0000 | |
| 50 | P | A | 0.6025 | |
| 51 | V | A | 1.2295 | |
| 52 | A | A | 0.0791 | |
| 53 | A | A | -0.4898 | |
| 54 | P | A | -0.9238 | |
| 55 | D | A | -2.0702 | |
| 56 | T | A | -1.0788 | |
| 57 | P | A | -0.5249 | |
| 58 | Q | A | 0.1086 | |
| 59 | L | A | 1.4753 | |
| 60 | V | A | 1.3123 | |
| 61 | T | A | 0.5100 | |
| 62 | S | A | -0.2887 | |
| 63 | E | A | -1.5734 | |
| 64 | G | A | 0.0000 | |
| 65 | M | A | 0.1141 | |
| 66 | A | A | -1.1065 | |
| 67 | F | A | 0.0000 | |
| 68 | V | A | -0.6610 | |
| 69 | K | A | -1.2917 | |
| 70 | N | A | 0.0000 | |
| 71 | A | A | 0.0000 | |
| 72 | I | A | 0.0155 | |
| 73 | V | A | 0.1707 | |
| 74 | A | A | 0.0000 | |
| 75 | F | A | 0.0000 | |
| 76 | G | A | 0.0210 | |
| 77 | L | A | 0.0000 | |
| 78 | Y | A | 0.0000 | |
| 79 | S | A | 0.0000 | |
| 80 | A | A | -0.1983 | |
| 81 | L | A | 0.0000 | |
| 82 | C | A | 0.0000 | |
| 83 | E | A | -0.1033 | |
| 84 | F | A | 0.0000 | |
| 85 | C | A | -0.2936 | |
| 86 | R | A | 0.1505 | |
| 87 | Y | A | 0.2824 | |
| 88 | P | A | -0.3892 | |
| 89 | A | A | -0.7349 | |
| 90 | Q | A | -1.1586 | |
| 91 | W | A | -0.6473 | |
| 92 | R | A | -1.4980 | |
| 93 | P | A | -1.2243 | |
| 94 | L | A | -0.3539 | |
| 95 | E | A | -1.9782 | |
| 96 | S | A | -1.9417 | |
| 97 | R | A | -1.9974 | |
| 98 | G | A | -1.0325 | |
| 99 | P | A | -0.1573 | |
| 100 | V | A | 1.3140 | |
| 1 | G | B | -0.5672 | |
| 2 | S | B | -0.3712 | |
| 3 | L | B | -0.2991 | |
| 4 | S | B | -0.1311 | |
| 5 | A | B | 0.0114 | |
| 6 | A | B | -0.0315 | |
| 7 | I | B | -0.1990 | |
| 8 | A | B | -0.4606 | |
| 9 | A | B | -0.6695 | |
| 10 | E | B | -1.4976 | |
| 11 | I | B | 0.0000 | |
| 12 | L | B | -1.3798 | |
| 13 | N | B | -2.2986 | |
| 14 | L | B | -1.5803 | |
| 15 | I | B | 0.0000 | |
| 16 | R | B | -2.9123 | |
| 17 | Q | B | -1.7109 | |
| 18 | G | B | -1.3764 | |
| 19 | K | B | -0.9522 | |
| 20 | A | B | 0.0000 | |
| 21 | A | B | -0.4708 | |
| 22 | E | B | -0.8059 | |
| 23 | A | B | 0.0000 | |
| 24 | A | B | 0.0000 | |
| 25 | Q | B | -0.6849 | |
| 26 | F | B | -0.0993 | |
| 27 | A | B | 0.0000 | |
| 28 | F | B | -0.4243 | |
| 29 | D | B | -1.2020 | |
| 30 | N | B | -1.2273 | |
| 31 | G | B | -0.8499 | |
| 32 | V | B | 0.0000 | |
| 33 | T | B | -0.7899 | |
| 34 | L | B | 0.0000 | |
| 35 | D | B | -1.0350 | |
| 36 | E | B | -0.9389 | |
| 37 | F | B | 0.0000 | |
| 38 | A | B | 0.0000 | |
| 39 | D | B | -1.9607 | |
| 40 | L | B | 0.0000 | |
| 41 | V | B | 0.0000 | |
| 42 | S | B | -0.8642 | |
| 43 | A | B | -0.9722 | |
| 44 | E | B | -1.2257 | |
| 45 | A | B | 0.0000 | |
| 46 | A | B | -0.5439 | |
| 47 | K | B | -1.2366 | |
| 48 | F | B | 0.0820 | |
| 49 | S | B | 0.0000 | |
| 50 | P | B | 0.4484 | |
| 51 | V | B | 1.2263 | |
| 52 | A | B | 0.1013 | |
| 53 | A | B | -0.5753 | |
| 54 | P | B | -0.9944 | |
| 55 | D | B | -2.1661 | |
| 56 | T | B | -1.0521 | |
| 57 | P | B | -0.8154 | |
| 58 | Q | B | -0.3239 | |
| 59 | L | B | 1.3437 | |
| 60 | V | B | 1.4199 | |
| 61 | T | B | 0.8062 | |
| 62 | S | B | 0.2144 | |
| 63 | E | B | -0.6850 | |
| 64 | G | B | 0.0000 | |
| 65 | M | B | 0.3435 | |
| 66 | A | B | -0.7097 | |
| 67 | F | B | 0.0000 | |
| 68 | V | B | -0.6243 | |
| 69 | K | B | -1.5710 | |
| 70 | N | B | -1.0685 | |
| 71 | A | B | 0.0000 | |
| 72 | I | B | -0.1930 | |
| 73 | V | B | 0.0000 | |
| 74 | A | B | 0.0000 | |
| 75 | F | B | 0.0000 | |
| 76 | G | B | -0.1050 | |
| 77 | L | B | 0.0000 | |
| 78 | Y | B | 0.0000 | |
| 79 | S | B | 0.0000 | |
| 80 | A | B | -0.2080 | |
| 81 | L | B | 0.0000 | |
| 82 | C | B | 0.0000 | |
| 83 | E | B | -0.1657 | |
| 84 | F | B | 0.0000 | |
| 85 | C | B | -0.0908 | |
| 86 | R | B | 0.2672 | |
| 87 | Y | B | 0.8315 | |
| 88 | P | B | -0.1479 | |
| 89 | A | B | -0.9531 | |
| 90 | Q | B | -1.2255 | |
| 91 | W | B | -0.8491 | |
| 92 | R | B | -2.2536 | |
| 93 | P | B | -1.2725 | |
| 94 | L | B | -0.5557 | |
| 95 | E | B | -2.2066 | |
| 96 | S | B | -2.1450 | |
| 97 | R | B | -2.4023 | |
| 98 | G | B | -1.1229 | |
| 99 | P | B | -0.2060 | |
| 100 | V | B | 1.2886 | |
| 1 | G | C | -0.5803 | |
| 2 | S | C | -0.3296 | |
| 3 | L | C | -0.3040 | |
| 4 | S | C | -0.0302 | |
| 5 | A | C | -0.0228 | |
| 6 | A | C | -0.1019 | |
| 7 | I | C | -0.3426 | |
| 8 | A | C | -0.5871 | |
| 9 | A | C | -0.7855 | |
| 10 | E | C | -1.7474 | |
| 11 | I | C | 0.0000 | |
| 12 | L | C | -1.3837 | |
| 13 | N | C | -2.3093 | |
| 14 | L | C | -1.4119 | |
| 15 | I | C | 0.0000 | |
| 16 | R | C | -2.9135 | |
| 17 | Q | C | -1.5912 | |
| 18 | G | C | -1.1915 | |
| 19 | K | C | 0.0000 | |
| 20 | A | C | 0.0000 | |
| 21 | A | C | 0.0000 | |
| 22 | E | C | 0.0000 | |
| 23 | A | C | 0.0000 | |
| 24 | A | C | 0.0000 | |
| 25 | Q | C | 0.0000 | |
| 26 | F | C | -0.4330 | |
| 27 | A | C | 0.0000 | |
| 28 | F | C | 0.0000 | |
| 29 | D | C | -1.6020 | |
| 30 | N | C | -1.3579 | |
| 31 | G | C | -1.1067 | |
| 32 | V | C | 0.0000 | |
| 33 | T | C | -0.6771 | |
| 34 | L | C | 0.0000 | |
| 35 | D | C | -0.9349 | |
| 36 | E | C | -1.1255 | |
| 37 | F | C | 0.0000 | |
| 38 | A | C | 0.0000 | |
| 39 | D | C | -2.1060 | |
| 40 | L | C | 0.0000 | |
| 41 | V | C | 0.0000 | |
| 42 | S | C | 0.0000 | |
| 43 | A | C | -1.0222 | |
| 44 | E | C | -1.0989 | |
| 45 | A | C | -0.7399 | |
| 46 | A | C | -0.7481 | |
| 47 | K | C | -1.4297 | |
| 48 | F | C | -0.2357 | |
| 49 | S | C | -0.0449 | |
| 50 | P | C | 0.3138 | |
| 51 | V | C | 1.0752 | |
| 52 | A | C | -0.0509 | |
| 53 | A | C | -0.6282 | |
| 54 | P | C | -1.0368 | |
| 55 | D | C | -2.1812 | |
| 56 | T | C | -1.2670 | |
| 57 | P | C | -0.8984 | |
| 58 | Q | C | -0.6892 | |
| 59 | L | C | 0.8952 | |
| 60 | V | C | 0.5914 | |
| 61 | T | C | 0.1181 | |
| 62 | S | C | -0.3875 | |
| 63 | E | C | -1.7416 | |
| 64 | G | C | 0.0000 | |
| 65 | M | C | 0.0814 | |
| 66 | A | C | -0.9845 | |
| 67 | F | C | 0.0000 | |
| 68 | V | C | -0.3830 | |
| 69 | K | C | -1.3393 | |
| 70 | N | C | 0.0000 | |
| 71 | A | C | 0.0000 | |
| 72 | I | C | 0.2169 | |
| 73 | V | C | 0.2349 | |
| 74 | A | C | 0.0000 | |
| 75 | F | C | 0.0000 | |
| 76 | G | C | 0.0761 | |
| 77 | L | C | 0.0000 | |
| 78 | Y | C | 0.0000 | |
| 79 | S | C | 0.0000 | |
| 80 | A | C | -0.1384 | |
| 81 | L | C | 0.0000 | |
| 82 | C | C | 0.0000 | |
| 83 | E | C | 0.0000 | |
| 84 | F | C | 0.0000 | |
| 85 | C | C | -0.3174 | |
| 86 | R | C | 0.0000 | |
| 87 | Y | C | 0.0299 | |
| 88 | P | C | -0.5030 | |
| 89 | A | C | -1.0912 | |
| 90 | Q | C | -1.5289 | |
| 91 | W | C | -0.9219 | |
| 92 | R | C | -2.1730 | |
| 93 | P | C | 0.0000 | |
| 94 | L | C | -0.6065 | |
| 95 | E | C | -2.2078 | |
| 96 | S | C | -2.1743 | |
| 97 | R | C | -2.4158 | |
| 98 | G | C | -1.1198 | |
| 99 | P | C | -0.2003 | |
| 100 | V | C | 1.2870 | |
| 1 | G | D | -0.6305 | |
| 2 | S | D | -0.3689 | |
| 3 | L | D | -0.3057 | |
| 4 | S | D | -0.1570 | |
| 5 | A | D | -0.0198 | |
| 6 | A | D | -0.0881 | |
| 7 | I | D | -0.2196 | |
| 8 | A | D | -0.4650 | |
| 9 | A | D | -0.5786 | |
| 10 | E | D | -1.4558 | |
| 11 | I | D | 0.0000 | |
| 12 | L | D | -1.1907 | |
| 13 | N | D | -1.7867 | |
| 14 | L | D | -1.4978 | |
| 15 | I | D | 0.0000 | |
| 16 | R | D | -3.0506 | |
| 17 | Q | D | -2.2083 | |
| 18 | G | D | -1.8328 | |
| 19 | K | D | -1.4499 | |
| 20 | A | D | 0.0000 | |
| 21 | A | D | 0.0000 | |
| 22 | E | D | -1.0744 | |
| 23 | A | D | 0.0000 | |
| 24 | A | D | 0.0000 | |
| 25 | Q | D | -0.7916 | |
| 26 | F | D | -0.3417 | |
| 27 | A | D | 0.0000 | |
| 28 | F | D | 0.0000 | |
| 29 | D | D | -1.1161 | |
| 30 | N | D | -1.2444 | |
| 31 | G | D | -0.9692 | |
| 32 | V | D | 0.0000 | |
| 33 | T | D | -0.8590 | |
| 34 | L | D | 0.0000 | |
| 35 | D | D | -1.0972 | |
| 36 | E | D | -0.9617 | |
| 37 | F | D | 0.0000 | |
| 38 | A | D | 0.0000 | |
| 39 | D | D | -2.0124 | |
| 40 | L | D | 0.0000 | |
| 41 | V | D | 0.0000 | |
| 42 | S | D | 0.0000 | |
| 43 | A | D | -1.0556 | |
| 44 | E | D | -1.2147 | |
| 45 | A | D | -0.6116 | |
| 46 | A | D | -0.6641 | |
| 47 | K | D | -1.0165 | |
| 48 | F | D | 0.2878 | |
| 49 | S | D | 0.1680 | |
| 50 | P | D | 0.5062 | |
| 51 | V | D | 1.1974 | |
| 52 | A | D | 0.0995 | |
| 53 | A | D | -0.5815 | |
| 54 | P | D | -1.0272 | |
| 55 | D | D | -2.1616 | |
| 56 | T | D | -1.4423 | |
| 57 | P | D | -0.8811 | |
| 58 | Q | D | -0.3209 | |
| 59 | L | D | 0.8912 | |
| 60 | V | D | 1.6032 | |
| 61 | T | D | 0.5772 | |
| 62 | S | D | -0.1612 | |
| 63 | E | D | -1.5218 | |
| 64 | G | D | 0.0000 | |
| 65 | M | D | 0.5798 | |
| 66 | A | D | -0.8718 | |
| 67 | F | D | 0.0000 | |
| 68 | V | D | -0.3520 | |
| 69 | K | D | -1.2423 | |
| 70 | N | D | -0.9584 | |
| 71 | A | D | 0.0000 | |
| 72 | I | D | 0.1356 | |
| 73 | V | D | -0.0088 | |
| 74 | A | D | 0.0000 | |
| 75 | F | D | 0.0000 | |
| 76 | G | D | -0.0788 | |
| 77 | L | D | 0.0000 | |
| 78 | Y | D | 0.0000 | |
| 79 | S | D | 0.0000 | |
| 80 | A | D | -0.1688 | |
| 81 | L | D | 0.0000 | |
| 82 | C | D | 0.0000 | |
| 83 | E | D | -0.5057 | |
| 84 | F | D | 0.0000 | |
| 85 | C | D | -0.5935 | |
| 86 | R | D | -0.9687 | |
| 87 | Y | D | -0.3458 | |
| 88 | P | D | -0.6244 | |
| 89 | A | D | -0.8026 | |
| 90 | Q | D | -1.1417 | |
| 91 | W | D | -0.3627 | |
| 92 | R | D | -1.2061 | |
| 93 | P | D | -0.7586 | |
| 94 | L | D | -0.2352 | |
| 95 | E | D | -1.9232 | |
| 96 | S | D | -1.8100 | |
| 97 | R | D | -2.1330 | |
| 98 | G | D | -1.0877 | |
| 99 | P | D | -0.1849 | |
| 100 | V | D | 1.2977 | |
| 1 | G | E | -0.7000 | |
| 2 | S | E | -0.2131 | |
| 3 | L | E | -0.1130 | |
| 4 | S | E | -0.0211 | |
| 5 | A | E | 0.0057 | |
| 6 | A | E | -0.0627 | |
| 7 | I | E | -0.2080 | |
| 8 | A | E | -0.4566 | |
| 9 | A | E | -0.6334 | |
| 10 | E | E | -1.4087 | |
| 11 | I | E | 0.0000 | |
| 12 | L | E | 0.0000 | |
| 13 | N | E | -1.8567 | |
| 14 | L | E | -1.3801 | |
| 15 | I | E | 0.0000 | |
| 16 | R | E | -2.4774 | |
| 17 | Q | E | -1.6589 | |
| 18 | G | E | -1.3497 | |
| 19 | K | E | -0.8405 | |
| 20 | A | E | 0.0000 | |
| 21 | A | E | -0.2102 | |
| 22 | E | E | -0.6968 | |
| 23 | A | E | 0.0000 | |
| 24 | A | E | 0.0000 | |
| 25 | Q | E | -0.7106 | |
| 26 | F | E | -0.4463 | |
| 27 | A | E | 0.0000 | |
| 28 | F | E | -0.5021 | |
| 29 | D | E | -1.2352 | |
| 30 | N | E | -1.2581 | |
| 31 | G | E | -0.8592 | |
| 32 | V | E | 0.0000 | |
| 33 | T | E | -0.8077 | |
| 34 | L | E | 0.0000 | |
| 35 | D | E | -0.9475 | |
| 36 | E | E | -0.8716 | |
| 37 | F | E | 0.0000 | |
| 38 | A | E | 0.0000 | |
| 39 | D | E | -1.9940 | |
| 40 | L | E | 0.0000 | |
| 41 | V | E | 0.0000 | |
| 42 | S | E | -0.9282 | |
| 43 | A | E | -0.9365 | |
| 44 | E | E | -0.8754 | |
| 45 | A | E | -0.6129 | |
| 46 | A | E | -0.4896 | |
| 47 | K | E | -1.2666 | |
| 48 | F | E | 0.0627 | |
| 49 | S | E | 0.0000 | |
| 50 | P | E | 0.5161 | |
| 51 | V | E | 1.3413 | |
| 52 | A | E | 0.1174 | |
| 53 | A | E | -0.5597 | |
| 54 | P | E | -0.9474 | |
| 55 | D | E | -2.1028 | |
| 56 | T | E | -1.1565 | |
| 57 | P | E | -0.6309 | |
| 58 | Q | E | -0.0835 | |
| 59 | L | E | 1.3255 | |
| 60 | V | E | 0.9732 | |
| 61 | T | E | 0.2743 | |
| 62 | S | E | -0.4900 | |
| 63 | E | E | -1.7468 | |
| 64 | G | E | 0.0000 | |
| 65 | M | E | -0.3107 | |
| 66 | A | E | -1.2228 | |
| 67 | F | E | 0.0000 | |
| 68 | V | E | -0.6344 | |
| 69 | K | E | -1.5181 | |
| 70 | N | E | -0.9352 | |
| 71 | A | E | 0.0000 | |
| 72 | I | E | 0.2154 | |
| 73 | V | E | 0.4055 | |
| 74 | A | E | 0.0000 | |
| 75 | F | E | 0.0000 | |
| 76 | G | E | 0.1580 | |
| 77 | L | E | 0.0000 | |
| 78 | Y | E | 0.0000 | |
| 79 | S | E | 0.0000 | |
| 80 | A | E | -0.2402 | |
| 81 | L | E | 0.0000 | |
| 82 | C | E | 0.0000 | |
| 83 | E | E | -0.3699 | |
| 84 | F | E | 0.0000 | |
| 85 | C | E | -0.4099 | |
| 86 | R | E | -0.1004 | |
| 87 | Y | E | -0.1142 | |
| 88 | P | E | -0.6031 | |
| 89 | A | E | -1.0741 | |
| 90 | Q | E | -1.6002 | |
| 91 | W | E | -0.9603 | |
| 92 | R | E | -2.1897 | |
| 93 | P | E | -1.5268 | |
| 94 | L | E | -0.5735 | |
| 95 | E | E | -2.1776 | |
| 96 | S | E | -2.0964 | |
| 97 | R | E | -2.4753 | |
| 98 | G | E | -1.0546 | |
| 99 | P | E | -0.2016 | |
| 100 | V | E | 1.2812 |
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 | -0.0294 | 3.1568 | View | CSV | PDB |
| 4.5 | -0.0834 | 3.1579 | View | CSV | PDB |
| 5.0 | -0.1523 | 3.1612 | View | CSV | PDB |
| 5.5 | -0.2254 | 3.171 | View | CSV | PDB |
| 6.0 | -0.2903 | 3.1958 | View | CSV | PDB |
| 6.5 | -0.3361 | 3.2453 | View | CSV | PDB |
| 7.0 | -0.3589 | 3.3183 | View | CSV | PDB |
| 7.5 | -0.3643 | 3.4048 | View | CSV | PDB |
| 8.0 | -0.3599 | 3.4966 | View | CSV | PDB |
| 8.5 | -0.3488 | 3.5901 | View | CSV | PDB |
| 9.0 | -0.3303 | 3.6837 | 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