| Chain sequence(s) |
A: QGQLVESGGGLVQAGGSLRLSCAASGIIFRELGIDWYRQAPGKQRELVASIASAGMTNYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCHTLPRFSHLWGQGTRVTVSS
C: PSQGQLVESGGGLVQAGGSLRLSCAASGIIFRELGIDWYRQAPGKQRELVASIASAGMTNYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCHTLPRFSHLWGQGTRVTVSS B: GPSQVQLQESGGGLVQAGDSLRLSCAASGRTWSIYGMGWFRQAPGKEREFVAGITWRGGNTHYADFVKGRFTISRDNVKNTVYLQMNSLKPEDTAVYYCAANPNPSGSSVYRRNDYWGQGTQVTVSS E: PSQVQLQESGGGLVQAGDSLRLSCAASGRTWSIYGMGWFRQAPGKEREFVAGITWRGGNTHYADFVKGRFTISRDNVKNTVYLQMNSLKPEDTAVYYCAANPNRRNDYWGQGTQVTVSS D: PSQVQLQESGGGLVQAGDSLRLSCAASGRTWSIYGMGWFRQAPGKEREFVAGITWRGGNTHYADFVKGRFTISRDNVKNTVYLQMNSLKPEDTAVYYCAANPNPYRRNDYWGQGTQVTVSS G: GPSQVQLQESGGGLVQAGDSLRLSCAASGRTWSIYGMGWFRQAPGKEREFVAGITWRGGNTHYADFVKGRFTISRDNVKNTVYLQMNSLKPEDTAVYYCAANPNPSGSSVYRRNDYWGQGTQVTVSS F: GPSQGQLVESGGGLVQAGGSLRLSCAASGIIFRELGIDWYRQAPGKQRELVASIASAGMTNYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCHTLPRFSHLWGQGTRVTVSS H: QGQLVESGGGLVQAGGSLRLSCAASGIIFRELGIDWYRQAPGKQRELVASIASAGMTNYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCHTLPRFSHLWGQGTRVTVSS input PDB |
| Selected Chain(s) | A,C,B,E,D,G,F,H |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| 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] FoldX: Starting FoldX energy minimalization (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:14:32)
[INFO] Main: Simulation completed successfully. (00:14:46)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 3 | Q | A | -1.6099 | |
| 4 | G | A | -1.2963 | |
| 5 | Q | A | -1.4552 | |
| 6 | L | A | 0.0000 | |
| 7 | V | A | 0.3991 | |
| 8 | E | A | 0.0000 | |
| 9 | S | A | -0.7845 | |
| 10 | G | A | -1.2814 | |
| 11 | G | A | -0.9706 | |
| 12 | G | A | -0.1323 | |
| 13 | L | A | 0.8649 | |
| 14 | V | A | 0.0000 | |
| 15 | Q | A | -1.3644 | |
| 16 | A | A | -1.5520 | |
| 17 | G | A | -1.3746 | |
| 18 | G | A | -1.0554 | |
| 19 | S | A | -1.1876 | |
| 20 | L | A | -0.9380 | |
| 21 | R | A | -1.8763 | |
| 22 | L | A | 0.0000 | |
| 23 | S | A | -0.4482 | |
| 24 | C | A | 0.0000 | |
| 25 | A | A | -0.3438 | |
| 26 | A | A | 0.0000 | |
| 27 | S | A | -0.9185 | |
| 28 | G | A | -0.9497 | |
| 29 | I | A | -0.8466 | |
| 30 | I | A | -0.4767 | |
| 31 | F | A | 0.0000 | |
| 32 | R | A | -2.8190 | |
| 33 | E | A | -2.6754 | |
| 34 | L | A | 0.0000 | |
| 35 | G | A | 0.0000 | |
| 36 | I | A | 0.0000 | |
| 37 | D | A | 0.0000 | |
| 38 | W | A | 0.0000 | |
| 39 | Y | A | 0.0000 | |
| 40 | R | A | 0.0000 | |
| 41 | Q | A | -2.1847 | |
| 42 | A | A | -2.0995 | |
| 43 | P | A | -1.6117 | |
| 44 | G | A | -1.8705 | |
| 45 | K | A | -3.0657 | |
| 46 | Q | A | -2.8897 | |
| 47 | R | A | -2.5020 | |
| 48 | E | A | -1.9232 | |
| 49 | L | A | -0.6395 | |
| 50 | V | A | 0.0000 | |
| 51 | A | A | 0.0000 | |
| 52 | S | A | 0.0000 | |
| 53 | I | A | 0.0000 | |
| 54 | A | A | 0.0000 | |
| 55 | S | A | -1.3748 | |
| 56 | A | A | -0.6530 | |
| 57 | G | A | -0.2428 | |
| 58 | M | A | 0.0878 | |
| 59 | T | A | -0.0425 | |
| 60 | N | A | -0.5793 | |
| 61 | Y | A | -0.9751 | |
| 62 | A | A | -1.3484 | |
| 63 | D | A | -2.4409 | |
| 64 | S | A | -1.8038 | |
| 65 | V | A | 0.0000 | |
| 66 | K | A | -2.6185 | |
| 67 | G | A | -1.7406 | |
| 68 | R | A | -1.3062 | |
| 69 | F | A | 0.0000 | |
| 70 | T | A | -0.7958 | |
| 71 | I | A | 0.0000 | |
| 72 | S | A | -0.3419 | |
| 73 | R | A | -1.1563 | |
| 74 | D | A | -1.6322 | |
| 75 | N | A | -2.2265 | |
| 76 | A | A | -1.5961 | |
| 77 | K | A | -2.2365 | |
| 78 | N | A | -1.8319 | |
| 79 | T | A | 0.0000 | |
| 80 | V | A | 0.0000 | |
| 81 | Y | A | -0.4376 | |
| 82 | L | A | 0.0000 | |
| 83 | Q | A | -1.0177 | |
| 84 | M | A | 0.0000 | |
| 85 | N | A | -1.2920 | |
| 86 | S | A | -1.1854 | |
| 87 | L | A | 0.0000 | |
| 88 | K | A | -2.4938 | |
| 89 | P | A | -2.0166 | |
| 90 | E | A | -2.4398 | |
| 91 | D | A | 0.0000 | |
| 92 | T | A | -1.1791 | |
| 93 | A | A | 0.0000 | |
| 94 | V | A | -1.0013 | |
| 95 | Y | A | 0.0000 | |
| 96 | Y | A | -0.3315 | |
| 97 | C | A | 0.0000 | |
| 98 | H | A | 0.0000 | |
| 99 | T | A | 0.0000 | |
| 100 | L | A | 0.0000 | |
| 101 | P | A | -0.8984 | |
| 102 | R | A | -0.7760 | |
| 103 | F | A | 1.0886 | |
| 104 | S | A | 0.1060 | |
| 105 | H | A | -0.0612 | |
| 106 | L | A | -0.4694 | |
| 107 | W | A | -0.0926 | |
| 108 | G | A | 0.0000 | |
| 109 | Q | A | -1.1607 | |
| 110 | G | A | 0.0000 | |
| 111 | T | A | 0.0000 | |
| 112 | R | A | -1.8535 | |
| 113 | V | A | 0.0000 | |
| 114 | T | A | -0.5422 | |
| 115 | V | A | 0.0000 | |
| 116 | S | A | -0.6699 | |
| 117 | S | A | -0.9204 | |
| 0 | G | B | -0.4049 | |
| 1 | P | B | -0.9061 | |
| 2 | S | B | -1.6090 | |
| 3 | Q | B | -2.4353 | |
| 4 | V | B | 0.0000 | |
| 5 | Q | B | -1.1463 | |
| 6 | L | B | 0.0000 | |
| 7 | Q | B | -0.4143 | |
| 8 | E | B | 0.0000 | |
| 9 | S | B | -0.7665 | |
| 10 | G | B | -1.0330 | |
| 11 | G | B | -0.6507 | |
| 12 | G | B | 0.0823 | |
| 13 | L | B | 1.1152 | |
| 14 | V | B | 0.0276 | |
| 15 | Q | B | -1.2859 | |
| 16 | A | B | -1.6197 | |
| 17 | G | B | -1.3656 | |
| 18 | D | B | -1.1107 | |
| 19 | S | B | -1.2262 | |
| 20 | L | B | -0.8491 | |
| 21 | R | B | -1.7554 | |
| 22 | L | B | 0.0000 | |
| 23 | S | B | -0.5489 | |
| 24 | C | B | 0.0000 | |
| 25 | A | B | -0.3915 | |
| 26 | A | B | 0.0000 | |
| 27 | S | B | -1.3611 | |
| 28 | G | B | -2.1062 | |
| 29 | R | B | -2.0776 | |
| 30 | T | B | -0.5628 | |
| 31 | W | B | 0.6440 | |
| 32 | S | B | 0.2092 | |
| 33 | I | B | 0.0000 | |
| 34 | Y | B | 1.1293 | |
| 35 | G | B | 0.0000 | |
| 36 | M | B | 0.0000 | |
| 37 | G | B | 0.0000 | |
| 38 | W | B | 0.0000 | |
| 39 | F | B | 0.0000 | |
| 40 | R | B | -0.9270 | |
| 41 | Q | B | -1.5954 | |
| 42 | A | B | -1.6773 | |
| 43 | P | B | -1.3285 | |
| 44 | G | B | -1.8511 | |
| 45 | K | B | -3.1189 | |
| 46 | E | B | -3.0011 | |
| 47 | R | B | 0.0000 | |
| 48 | E | B | -1.1081 | |
| 49 | F | B | 0.1639 | |
| 50 | V | B | 0.0000 | |
| 51 | A | B | 0.0000 | |
| 52 | G | B | -0.2516 | |
| 53 | I | B | 0.0000 | |
| 54 | T | B | -0.0762 | |
| 55 | W | B | 0.0000 | |
| 56 | R | B | -0.4679 | |
| 57 | G | B | -0.9562 | |
| 58 | G | B | 0.0000 | |
| 59 | N | B | -0.9033 | |
| 60 | T | B | -0.6061 | |
| 61 | H | B | -1.0362 | |
| 62 | Y | B | -0.7383 | |
| 63 | A | B | -1.0238 | |
| 64 | D | B | -2.0490 | |
| 65 | F | B | -1.2762 | |
| 66 | V | B | 0.0000 | |
| 67 | K | B | -2.3064 | |
| 68 | G | B | -1.6239 | |
| 69 | R | B | -1.1965 | |
| 70 | F | B | 0.0000 | |
| 71 | T | B | -0.6037 | |
| 72 | I | B | 0.0000 | |
| 73 | S | B | 0.0000 | |
| 74 | R | B | 0.0000 | |
| 75 | D | B | 0.0000 | |
| 76 | N | B | 0.0000 | |
| 77 | V | B | -0.5338 | |
| 78 | K | B | -1.5814 | |
| 79 | N | B | -0.7038 | |
| 80 | T | B | -0.4790 | |
| 81 | V | B | 0.0000 | |
| 82 | Y | B | -0.2844 | |
| 83 | L | B | 0.0000 | |
| 84 | Q | B | -0.9955 | |
| 85 | M | B | 0.0000 | |
| 86 | N | B | -1.3528 | |
| 87 | S | B | -1.1798 | |
| 88 | L | B | 0.0000 | |
| 89 | K | B | -2.0642 | |
| 90 | P | B | -1.7628 | |
| 91 | E | B | -2.1644 | |
| 92 | D | B | 0.0000 | |
| 93 | T | B | -0.7834 | |
| 94 | A | B | 0.0000 | |
| 95 | V | B | -0.2692 | |
| 96 | Y | B | 0.0000 | |
| 97 | Y | B | 0.0000 | |
| 98 | C | B | 0.0000 | |
| 99 | A | B | 0.0000 | |
| 100 | A | B | 0.0000 | |
| 101 | N | B | 0.0000 | |
| 102 | P | B | -1.2160 | |
| 103 | N | B | -1.8043 | |
| 104 | P | B | -1.1567 | |
| 105 | S | B | -1.2144 | |
| 106 | G | B | -1.6576 | |
| 107 | S | B | -0.9216 | |
| 108 | S | B | -1.0466 | |
| 109 | V | B | -0.9549 | |
| 110 | Y | B | -1.2509 | |
| 111 | R | B | -2.5986 | |
| 112 | R | B | -2.3951 | |
| 113 | N | B | -1.9880 | |
| 114 | D | B | -2.3269 | |
| 115 | Y | B | 0.0000 | |
| 116 | W | B | -0.5322 | |
| 117 | G | B | 0.0000 | |
| 118 | Q | B | -0.4937 | |
| 119 | G | B | -0.5498 | |
| 120 | T | B | -0.6473 | |
| 121 | Q | B | -0.7086 | |
| 122 | V | B | 0.0000 | |
| 123 | T | B | -0.1702 | |
| 124 | V | B | 0.0000 | |
| 125 | S | B | -0.8721 | |
| 126 | S | B | -0.8348 | |
| 1 | P | C | -0.7195 | |
| 2 | S | C | -1.1797 | |
| 3 | Q | C | -1.6568 | |
| 4 | G | C | 0.0000 | |
| 5 | Q | C | -0.9439 | |
| 6 | L | C | 0.0000 | |
| 7 | V | C | 0.8292 | |
| 8 | E | C | 0.0357 | |
| 9 | S | C | -0.4491 | |
| 10 | G | C | -1.0137 | |
| 11 | G | C | -0.6235 | |
| 12 | G | C | 0.1399 | |
| 13 | L | C | 1.1105 | |
| 14 | V | C | 0.0584 | |
| 15 | Q | C | -1.1632 | |
| 16 | A | C | -1.3600 | |
| 17 | G | C | -1.3635 | |
| 18 | G | C | -0.9323 | |
| 19 | S | C | -1.1927 | |
| 20 | L | C | -0.8697 | |
| 21 | R | C | -1.8019 | |
| 22 | L | C | 0.0000 | |
| 23 | S | C | -0.3439 | |
| 24 | C | C | 0.0000 | |
| 25 | A | C | -0.2427 | |
| 26 | A | C | -0.2830 | |
| 27 | S | C | -0.5328 | |
| 28 | G | C | -0.8374 | |
| 29 | I | C | -0.5489 | |
| 30 | I | C | -0.0732 | |
| 31 | F | C | 0.0000 | |
| 32 | R | C | -2.9047 | |
| 33 | E | C | -2.6197 | |
| 34 | L | C | 0.0000 | |
| 35 | G | C | 0.0000 | |
| 36 | I | C | 0.0000 | |
| 37 | D | C | 0.0000 | |
| 38 | W | C | 0.0000 | |
| 39 | Y | C | 0.0000 | |
| 40 | R | C | 0.0000 | |
| 41 | Q | C | 0.0000 | |
| 42 | A | C | -1.6921 | |
| 43 | P | C | -1.3855 | |
| 44 | G | C | -2.3544 | |
| 45 | K | C | -3.0963 | |
| 46 | Q | C | -3.0004 | |
| 47 | R | C | -2.6275 | |
| 48 | E | C | -1.6138 | |
| 49 | L | C | -0.3240 | |
| 50 | V | C | 0.0000 | |
| 51 | A | C | 0.0000 | |
| 52 | S | C | 0.0000 | |
| 53 | I | C | 0.0000 | |
| 54 | A | C | 0.0000 | |
| 55 | S | C | -1.4805 | |
| 56 | A | C | -0.7170 | |
| 57 | G | C | -0.4304 | |
| 58 | M | C | -0.0771 | |
| 59 | T | C | -0.1356 | |
| 60 | N | C | -0.5334 | |
| 61 | Y | C | -0.9041 | |
| 62 | A | C | -1.3641 | |
| 63 | D | C | -2.4699 | |
| 64 | S | C | -1.7839 | |
| 65 | V | C | 0.0000 | |
| 66 | K | C | -2.6433 | |
| 67 | G | C | -1.8827 | |
| 68 | R | C | -1.7166 | |
| 69 | F | C | 0.0000 | |
| 70 | T | C | -0.9647 | |
| 71 | I | C | 0.0000 | |
| 72 | S | C | -0.6841 | |
| 73 | R | C | -1.7419 | |
| 74 | D | C | -2.7012 | |
| 75 | N | C | -3.2032 | |
| 76 | A | C | -2.1239 | |
| 77 | K | C | -2.6415 | |
| 78 | N | C | -2.2921 | |
| 79 | T | C | 0.0000 | |
| 80 | V | C | 0.0000 | |
| 81 | Y | C | -0.5742 | |
| 82 | L | C | 0.0000 | |
| 83 | Q | C | -1.3290 | |
| 84 | M | C | 0.0000 | |
| 85 | N | C | -2.0389 | |
| 86 | S | C | -1.4284 | |
| 87 | L | C | 0.0000 | |
| 88 | K | C | -2.0382 | |
| 89 | P | C | -1.6778 | |
| 90 | E | C | -2.1926 | |
| 91 | D | C | 0.0000 | |
| 92 | T | C | -0.7703 | |
| 93 | A | C | 0.0000 | |
| 94 | V | C | 0.0000 | |
| 95 | Y | C | 0.0000 | |
| 96 | Y | C | 0.0000 | |
| 97 | C | C | 0.0000 | |
| 98 | H | C | 0.0000 | |
| 99 | T | C | 0.0000 | |
| 100 | L | C | 0.0000 | |
| 101 | P | C | -0.8059 | |
| 102 | R | C | -0.7942 | |
| 103 | F | C | 1.1478 | |
| 104 | S | C | 0.1206 | |
| 105 | H | C | -0.2093 | |
| 106 | L | C | -0.3460 | |
| 107 | W | C | 0.0006 | |
| 108 | G | C | 0.0000 | |
| 109 | Q | C | -0.3231 | |
| 110 | G | C | -0.3740 | |
| 111 | T | C | -0.6513 | |
| 112 | R | C | -0.8515 | |
| 113 | V | C | 0.0000 | |
| 114 | T | C | -0.2148 | |
| 115 | V | C | 0.0000 | |
| 116 | S | C | -0.7205 | |
| 117 | S | C | -0.9448 | |
| 1 | P | D | -0.9187 | |
| 2 | S | D | -1.5144 | |
| 3 | Q | D | -2.1554 | |
| 4 | V | D | 0.0000 | |
| 5 | Q | D | -2.0564 | |
| 6 | L | D | 0.0000 | |
| 7 | Q | D | -1.6841 | |
| 8 | E | D | 0.0000 | |
| 9 | S | D | -0.9469 | |
| 10 | G | D | -0.9219 | |
| 11 | G | D | -0.6577 | |
| 12 | G | D | 0.0580 | |
| 13 | L | D | 0.9446 | |
| 14 | V | D | 0.0000 | |
| 15 | Q | D | -1.5680 | |
| 16 | A | D | -1.6779 | |
| 17 | G | D | -1.7187 | |
| 18 | D | D | -1.6759 | |
| 19 | S | D | -1.4356 | |
| 20 | L | D | -0.7220 | |
| 21 | R | D | -1.2558 | |
| 22 | L | D | 0.0000 | |
| 23 | S | D | -0.6037 | |
| 24 | C | D | 0.0000 | |
| 25 | A | D | -0.9040 | |
| 26 | A | D | 0.0000 | |
| 27 | S | D | -1.2753 | |
| 28 | G | D | -1.3593 | |
| 29 | R | D | -1.0863 | |
| 30 | T | D | -0.1275 | |
| 31 | W | D | 1.2968 | |
| 32 | S | D | 0.5241 | |
| 33 | I | D | 0.0000 | |
| 34 | Y | D | 0.8347 | |
| 35 | G | D | 0.0000 | |
| 36 | M | D | 0.0000 | |
| 37 | G | D | 0.0000 | |
| 38 | W | D | 0.0000 | |
| 39 | F | D | 0.0000 | |
| 40 | R | D | 0.0000 | |
| 41 | Q | D | -1.5216 | |
| 42 | A | D | -1.7476 | |
| 43 | P | D | -1.4836 | |
| 44 | G | D | -2.1651 | |
| 45 | K | D | -3.1452 | |
| 46 | E | D | -3.1005 | |
| 47 | R | D | -1.8893 | |
| 48 | E | D | -1.4850 | |
| 49 | F | D | -0.6226 | |
| 50 | V | D | 0.0000 | |
| 51 | A | D | 0.0000 | |
| 52 | G | D | 0.0000 | |
| 53 | I | D | 0.0000 | |
| 54 | T | D | -0.1545 | |
| 55 | W | D | 0.0000 | |
| 56 | R | D | -0.5682 | |
| 57 | G | D | 0.0000 | |
| 58 | G | D | 0.0000 | |
| 59 | N | D | -0.8760 | |
| 60 | T | D | -0.5797 | |
| 61 | H | D | -1.0516 | |
| 62 | Y | D | -0.6600 | |
| 63 | A | D | -1.0836 | |
| 64 | D | D | -2.0104 | |
| 65 | F | D | -0.9493 | |
| 66 | V | D | 0.0000 | |
| 67 | K | D | -2.2789 | |
| 68 | G | D | -1.6563 | |
| 69 | R | D | -1.3506 | |
| 70 | F | D | 0.0000 | |
| 71 | T | D | -0.5327 | |
| 72 | I | D | 0.0000 | |
| 73 | S | D | 0.0000 | |
| 74 | R | D | 0.0000 | |
| 75 | D | D | 0.0000 | |
| 76 | N | D | 0.0000 | |
| 77 | V | D | -0.5764 | |
| 78 | K | D | -1.8189 | |
| 79 | N | D | -0.8566 | |
| 80 | T | D | 0.0000 | |
| 81 | V | D | 0.0000 | |
| 82 | Y | D | -0.1650 | |
| 83 | L | D | 0.0000 | |
| 84 | Q | D | -0.7976 | |
| 85 | M | D | 0.0000 | |
| 86 | N | D | -1.4971 | |
| 87 | S | D | -1.4463 | |
| 88 | L | D | 0.0000 | |
| 89 | K | D | -2.2610 | |
| 90 | P | D | -1.7758 | |
| 91 | E | D | -2.2054 | |
| 92 | D | D | 0.0000 | |
| 93 | T | D | -0.8038 | |
| 94 | A | D | 0.0000 | |
| 95 | V | D | 0.0000 | |
| 96 | Y | D | 0.0000 | |
| 97 | Y | D | 0.0000 | |
| 98 | C | D | 0.0000 | |
| 99 | A | D | 0.0000 | |
| 100 | A | D | 0.0000 | |
| 101 | N | D | 0.0000 | |
| 102 | P | D | -1.6089 | |
| 103 | N | D | -2.4227 | |
| 104 | P | D | -1.6759 | |
| 110 | Y | D | -0.3942 | |
| 111 | R | D | -2.1950 | |
| 112 | R | D | -2.0101 | |
| 113 | N | D | 0.0000 | |
| 114 | D | D | -2.6398 | |
| 115 | Y | D | 0.0000 | |
| 116 | W | D | -0.7353 | |
| 117 | G | D | 0.0000 | |
| 118 | Q | D | -2.3281 | |
| 119 | G | D | 0.0000 | |
| 120 | T | D | -1.2169 | |
| 121 | Q | D | -0.7790 | |
| 122 | V | D | 0.0000 | |
| 123 | T | D | -0.3292 | |
| 124 | V | D | 0.0000 | |
| 125 | S | D | -0.8688 | |
| 126 | S | D | -0.8015 | |
| 1 | P | E | -0.9076 | |
| 2 | S | E | -1.4300 | |
| 3 | Q | E | -2.0119 | |
| 4 | V | E | 0.0000 | |
| 5 | Q | E | -2.0899 | |
| 6 | L | E | 0.0000 | |
| 7 | Q | E | -1.6659 | |
| 8 | E | E | 0.0000 | |
| 9 | S | E | -1.0340 | |
| 10 | G | E | -0.9614 | |
| 11 | G | E | -0.6649 | |
| 12 | G | E | 0.0777 | |
| 13 | L | E | 0.9962 | |
| 14 | V | E | -0.2526 | |
| 15 | Q | E | -1.5829 | |
| 16 | A | E | -1.9774 | |
| 17 | G | E | -1.7682 | |
| 18 | D | E | -1.7064 | |
| 19 | S | E | -1.4853 | |
| 20 | L | E | -0.7642 | |
| 21 | R | E | -1.3882 | |
| 22 | L | E | 0.0000 | |
| 23 | S | E | -0.6164 | |
| 24 | C | E | 0.0000 | |
| 25 | A | E | -0.9406 | |
| 26 | A | E | 0.0000 | |
| 27 | S | E | -1.3252 | |
| 28 | G | E | -1.3733 | |
| 29 | R | E | -1.1189 | |
| 30 | T | E | -0.1419 | |
| 31 | W | E | 1.2976 | |
| 32 | S | E | 0.7434 | |
| 33 | I | E | 0.0000 | |
| 34 | Y | E | 0.9306 | |
| 35 | G | E | 0.0000 | |
| 36 | M | E | 0.0000 | |
| 37 | G | E | 0.0000 | |
| 38 | W | E | 0.0000 | |
| 39 | F | E | 0.0000 | |
| 40 | R | E | 0.0000 | |
| 41 | Q | E | -1.6815 | |
| 42 | A | E | -1.8385 | |
| 43 | P | E | -1.5250 | |
| 44 | G | E | -2.1668 | |
| 45 | K | E | -3.2095 | |
| 46 | E | E | -3.4013 | |
| 47 | R | E | -2.4185 | |
| 48 | E | E | -1.6180 | |
| 49 | F | E | -0.4136 | |
| 50 | V | E | 0.0000 | |
| 51 | A | E | 0.0000 | |
| 52 | G | E | 0.0000 | |
| 53 | I | E | 0.0000 | |
| 54 | T | E | -0.2648 | |
| 55 | W | E | 0.0000 | |
| 56 | R | E | -1.0924 | |
| 57 | G | E | -1.1687 | |
| 58 | G | E | 0.0000 | |
| 59 | N | E | -0.9368 | |
| 60 | T | E | -0.5552 | |
| 61 | H | E | -1.0626 | |
| 62 | Y | E | -0.7171 | |
| 63 | A | E | -1.0726 | |
| 64 | D | E | -2.0374 | |
| 65 | F | E | -0.9437 | |
| 66 | V | E | 0.0000 | |
| 67 | K | E | -2.2983 | |
| 68 | G | E | -1.6735 | |
| 69 | R | E | -1.3345 | |
| 70 | F | E | 0.0000 | |
| 71 | T | E | -0.5413 | |
| 72 | I | E | 0.0000 | |
| 73 | S | E | -0.0591 | |
| 74 | R | E | 0.0000 | |
| 75 | D | E | 0.0000 | |
| 76 | N | E | 0.0000 | |
| 77 | V | E | -0.5918 | |
| 78 | K | E | -1.8229 | |
| 79 | N | E | -0.8512 | |
| 80 | T | E | 0.0000 | |
| 81 | V | E | 0.0000 | |
| 82 | Y | E | -0.1216 | |
| 83 | L | E | 0.0000 | |
| 84 | Q | E | -0.8627 | |
| 85 | M | E | 0.0000 | |
| 86 | N | E | -1.6626 | |
| 87 | S | E | -1.4910 | |
| 88 | L | E | 0.0000 | |
| 89 | K | E | -2.4476 | |
| 90 | P | E | -1.8933 | |
| 91 | E | E | -2.2564 | |
| 92 | D | E | 0.0000 | |
| 93 | T | E | -0.8359 | |
| 94 | A | E | 0.0000 | |
| 95 | V | E | 0.0000 | |
| 96 | Y | E | 0.0000 | |
| 97 | Y | E | 0.0000 | |
| 98 | C | E | 0.0000 | |
| 99 | A | E | 0.0000 | |
| 100 | A | E | 0.0000 | |
| 101 | N | E | 0.0000 | |
| 102 | P | E | -1.7644 | |
| 103 | N | E | -2.5915 | |
| 111 | R | E | -3.2118 | |
| 112 | R | E | -3.5001 | |
| 113 | N | E | 0.0000 | |
| 114 | D | E | -2.4579 | |
| 115 | Y | E | 0.0000 | |
| 116 | W | E | -0.9908 | |
| 117 | G | E | -1.2592 | |
| 118 | Q | E | -1.9535 | |
| 119 | G | E | 0.0000 | |
| 120 | T | E | -1.2307 | |
| 121 | Q | E | -0.9107 | |
| 122 | V | E | 0.0000 | |
| 123 | T | E | -0.3628 | |
| 124 | V | E | 0.0000 | |
| 125 | S | E | -1.0659 | |
| 126 | S | E | -0.9165 | |
| 0 | G | F | -0.9535 | |
| 1 | P | F | -0.9354 | |
| 2 | S | F | -1.2973 | |
| 3 | Q | F | -1.7284 | |
| 4 | G | F | 0.0000 | |
| 5 | Q | F | -1.1098 | |
| 6 | L | F | 0.0000 | |
| 7 | V | F | 0.7573 | |
| 8 | E | F | 0.0025 | |
| 9 | S | F | -0.4822 | |
| 10 | G | F | -0.9872 | |
| 11 | G | F | -0.5581 | |
| 12 | G | F | 0.1866 | |
| 13 | L | F | 1.1522 | |
| 14 | V | F | 0.0228 | |
| 15 | Q | F | -1.2284 | |
| 16 | A | F | -1.4428 | |
| 17 | G | F | -1.3824 | |
| 18 | G | F | -0.9390 | |
| 19 | S | F | -1.0023 | |
| 20 | L | F | -0.7184 | |
| 21 | R | F | -1.6174 | |
| 22 | L | F | 0.0000 | |
| 23 | S | F | -0.3419 | |
| 24 | C | F | 0.0000 | |
| 25 | A | F | 0.0451 | |
| 26 | A | F | 0.1399 | |
| 27 | S | F | -0.2348 | |
| 28 | G | F | -0.7057 | |
| 29 | I | F | 0.2893 | |
| 30 | I | F | 1.1435 | |
| 31 | F | F | 0.0000 | |
| 32 | R | F | -1.8102 | |
| 33 | E | F | -2.3529 | |
| 34 | L | F | 0.0000 | |
| 35 | G | F | 0.0000 | |
| 36 | I | F | 0.0000 | |
| 37 | D | F | 0.0000 | |
| 38 | W | F | 0.0000 | |
| 39 | Y | F | 0.0000 | |
| 40 | R | F | 0.0000 | |
| 41 | Q | F | 0.0000 | |
| 42 | A | F | -1.5662 | |
| 43 | P | F | -1.4059 | |
| 44 | G | F | -2.3423 | |
| 45 | K | F | -3.1059 | |
| 46 | Q | F | -2.9784 | |
| 47 | R | F | -2.6406 | |
| 48 | E | F | -1.5783 | |
| 49 | L | F | -0.4695 | |
| 50 | V | F | 0.0000 | |
| 51 | A | F | 0.0000 | |
| 52 | S | F | -0.0257 | |
| 53 | I | F | 0.0000 | |
| 54 | A | F | 0.0000 | |
| 55 | S | F | -1.3159 | |
| 56 | A | F | -0.5565 | |
| 57 | G | F | -0.1710 | |
| 58 | M | F | 0.1589 | |
| 59 | T | F | -0.0773 | |
| 60 | N | F | -0.6408 | |
| 61 | Y | F | -1.0518 | |
| 62 | A | F | -1.4228 | |
| 63 | D | F | -2.5448 | |
| 64 | S | F | -1.7875 | |
| 65 | V | F | 0.0000 | |
| 66 | K | F | -2.6951 | |
| 67 | G | F | -1.8140 | |
| 68 | R | F | -1.6041 | |
| 69 | F | F | 0.0000 | |
| 70 | T | F | -0.8453 | |
| 71 | I | F | 0.0000 | |
| 72 | S | F | -0.3686 | |
| 73 | R | F | -1.1105 | |
| 74 | D | F | -1.6644 | |
| 75 | N | F | -2.0456 | |
| 76 | A | F | -1.6065 | |
| 77 | K | F | -2.2204 | |
| 78 | N | F | -1.2584 | |
| 79 | T | F | -0.7931 | |
| 80 | V | F | 0.0000 | |
| 81 | Y | F | -0.4052 | |
| 82 | L | F | 0.0000 | |
| 83 | Q | F | -1.0130 | |
| 84 | M | F | 0.0000 | |
| 85 | N | F | -1.4916 | |
| 86 | S | F | -1.2828 | |
| 87 | L | F | 0.0000 | |
| 88 | K | F | -2.1900 | |
| 89 | P | F | -1.8028 | |
| 90 | E | F | -2.2726 | |
| 91 | D | F | 0.0000 | |
| 92 | T | F | -0.7628 | |
| 93 | A | F | 0.0000 | |
| 94 | V | F | 0.0000 | |
| 95 | Y | F | 0.0000 | |
| 96 | Y | F | 0.0000 | |
| 97 | C | F | 0.0000 | |
| 98 | H | F | 0.0000 | |
| 99 | T | F | 0.0000 | |
| 100 | L | F | 0.0000 | |
| 101 | P | F | -0.8993 | |
| 102 | R | F | -0.9428 | |
| 103 | F | F | 1.0284 | |
| 104 | S | F | 0.1965 | |
| 105 | H | F | -0.3086 | |
| 106 | L | F | 0.0000 | |
| 107 | W | F | -0.1509 | |
| 108 | G | F | 0.0000 | |
| 109 | Q | F | -0.3708 | |
| 110 | G | F | -0.3542 | |
| 111 | T | F | -0.5442 | |
| 112 | R | F | -0.5883 | |
| 113 | V | F | 0.0000 | |
| 114 | T | F | -0.1877 | |
| 115 | V | F | 0.0000 | |
| 116 | S | F | -0.7351 | |
| 117 | S | F | -1.0264 | |
| 0 | G | G | -0.4342 | |
| 1 | P | G | -0.8877 | |
| 2 | S | G | -1.5949 | |
| 3 | Q | G | -2.4472 | |
| 4 | V | G | 0.0000 | |
| 5 | Q | G | -1.1333 | |
| 6 | L | G | 0.0000 | |
| 7 | Q | G | -0.5619 | |
| 8 | E | G | 0.0000 | |
| 9 | S | G | -0.8199 | |
| 10 | G | G | -0.9999 | |
| 11 | G | G | -0.6163 | |
| 12 | G | G | 0.0952 | |
| 13 | L | G | 1.0877 | |
| 14 | V | G | -0.0802 | |
| 15 | Q | G | -1.4070 | |
| 16 | A | G | -1.5952 | |
| 17 | G | G | -1.5115 | |
| 18 | D | G | -1.3124 | |
| 19 | S | G | -1.3031 | |
| 20 | L | G | -0.8156 | |
| 21 | R | G | -1.6271 | |
| 22 | L | G | 0.0000 | |
| 23 | S | G | -0.5150 | |
| 24 | C | G | 0.0000 | |
| 25 | A | G | -0.4653 | |
| 26 | A | G | 0.0000 | |
| 27 | S | G | -1.4057 | |
| 28 | G | G | -2.1423 | |
| 29 | R | G | -2.0386 | |
| 30 | T | G | -0.6079 | |
| 31 | W | G | 0.5044 | |
| 32 | S | G | 0.1362 | |
| 33 | I | G | 0.0000 | |
| 34 | Y | G | 1.1172 | |
| 35 | G | G | 0.0000 | |
| 36 | M | G | 0.0000 | |
| 37 | G | G | 0.0000 | |
| 38 | W | G | 0.0000 | |
| 39 | F | G | 0.0000 | |
| 40 | R | G | -0.8855 | |
| 41 | Q | G | -1.5627 | |
| 42 | A | G | -1.7330 | |
| 43 | P | G | -1.3164 | |
| 44 | G | G | -1.8509 | |
| 45 | K | G | -3.1229 | |
| 46 | E | G | -2.9928 | |
| 47 | R | G | 0.0000 | |
| 48 | E | G | -1.0670 | |
| 49 | F | G | 0.3113 | |
| 50 | V | G | 0.0000 | |
| 51 | A | G | 0.0000 | |
| 52 | G | G | -0.1762 | |
| 53 | I | G | 0.0000 | |
| 54 | T | G | -0.0129 | |
| 55 | W | G | 0.0000 | |
| 56 | R | G | -0.4268 | |
| 57 | G | G | 0.0000 | |
| 58 | G | G | 0.0000 | |
| 59 | N | G | -0.7763 | |
| 60 | T | G | -0.5009 | |
| 61 | H | G | -0.9109 | |
| 62 | Y | G | -0.5330 | |
| 63 | A | G | -0.8899 | |
| 64 | D | G | -1.9738 | |
| 65 | F | G | -1.2242 | |
| 66 | V | G | 0.0000 | |
| 67 | K | G | -2.2727 | |
| 68 | G | G | -1.5977 | |
| 69 | R | G | -1.1822 | |
| 70 | F | G | 0.0000 | |
| 71 | T | G | -0.5510 | |
| 72 | I | G | 0.0000 | |
| 73 | S | G | -0.0472 | |
| 74 | R | G | 0.0000 | |
| 75 | D | G | 0.0000 | |
| 76 | N | G | 0.0000 | |
| 77 | V | G | -0.6437 | |
| 78 | K | G | -1.8085 | |
| 79 | N | G | -0.8098 | |
| 80 | T | G | -0.5176 | |
| 81 | V | G | 0.0000 | |
| 82 | Y | G | -0.1456 | |
| 83 | L | G | 0.0000 | |
| 84 | Q | G | -0.9218 | |
| 85 | M | G | 0.0000 | |
| 86 | N | G | -1.3976 | |
| 87 | S | G | -1.2899 | |
| 88 | L | G | 0.0000 | |
| 89 | K | G | -2.2627 | |
| 90 | P | G | -1.8276 | |
| 91 | E | G | -2.2107 | |
| 92 | D | G | 0.0000 | |
| 93 | T | G | -0.7955 | |
| 94 | A | G | 0.0000 | |
| 95 | V | G | -0.2144 | |
| 96 | Y | G | 0.0000 | |
| 97 | Y | G | 0.0000 | |
| 98 | C | G | 0.0000 | |
| 99 | A | G | 0.0000 | |
| 100 | A | G | 0.0000 | |
| 101 | N | G | 0.0000 | |
| 102 | P | G | -1.1881 | |
| 103 | N | G | -1.8282 | |
| 104 | P | G | -1.2407 | |
| 105 | S | G | -1.2414 | |
| 106 | G | G | -1.5783 | |
| 107 | S | G | -0.8871 | |
| 108 | S | G | -1.0128 | |
| 109 | V | G | -0.8867 | |
| 110 | Y | G | -1.0719 | |
| 111 | R | G | -2.4306 | |
| 112 | R | G | -2.3560 | |
| 113 | N | G | -1.8267 | |
| 114 | D | G | -1.9750 | |
| 115 | Y | G | -0.9694 | |
| 116 | W | G | -0.3725 | |
| 117 | G | G | 0.0000 | |
| 118 | Q | G | -0.4261 | |
| 119 | G | G | 0.0000 | |
| 120 | T | G | 0.0000 | |
| 121 | Q | G | -0.6622 | |
| 122 | V | G | 0.0000 | |
| 123 | T | G | -0.1685 | |
| 124 | V | G | 0.0000 | |
| 125 | S | G | -0.8707 | |
| 126 | S | G | -0.8560 | |
| 3 | Q | H | -1.7222 | |
| 4 | G | H | -1.0349 | |
| 5 | Q | H | -1.0293 | |
| 6 | L | H | 0.0000 | |
| 7 | V | H | 1.1131 | |
| 8 | E | H | 0.0000 | |
| 9 | S | H | -0.6067 | |
| 10 | G | H | -1.1472 | |
| 11 | G | H | -1.0126 | |
| 12 | G | H | -0.2553 | |
| 13 | L | H | 0.8453 | |
| 14 | V | H | 0.0000 | |
| 15 | Q | H | -1.3367 | |
| 16 | A | H | -1.4587 | |
| 17 | G | H | -1.3531 | |
| 18 | G | H | -0.9091 | |
| 19 | S | H | -1.0324 | |
| 20 | L | H | -0.7776 | |
| 21 | R | H | -1.8072 | |
| 22 | L | H | 0.0000 | |
| 23 | S | H | -0.2673 | |
| 24 | C | H | 0.0000 | |
| 25 | A | H | -0.0670 | |
| 26 | A | H | 0.0000 | |
| 27 | S | H | -0.6206 | |
| 28 | G | H | -0.6691 | |
| 29 | I | H | -0.4063 | |
| 30 | I | H | 0.4403 | |
| 31 | F | H | 0.0000 | |
| 32 | R | H | -2.6456 | |
| 33 | E | H | -2.4086 | |
| 34 | L | H | 0.0000 | |
| 35 | G | H | 0.0000 | |
| 36 | I | H | 0.0000 | |
| 37 | D | H | 0.0000 | |
| 38 | W | H | 0.0000 | |
| 39 | Y | H | 0.0000 | |
| 40 | R | H | 0.0000 | |
| 41 | Q | H | -2.1090 | |
| 42 | A | H | -2.0008 | |
| 43 | P | H | -1.3190 | |
| 44 | G | H | -1.8370 | |
| 45 | K | H | -3.0774 | |
| 46 | Q | H | -2.9913 | |
| 47 | R | H | -2.6466 | |
| 48 | E | H | -2.3994 | |
| 49 | L | H | -0.8199 | |
| 50 | V | H | 0.0000 | |
| 51 | A | H | 0.0000 | |
| 52 | S | H | -0.0277 | |
| 53 | I | H | 0.0000 | |
| 54 | A | H | 0.0000 | |
| 55 | S | H | -1.3823 | |
| 56 | A | H | -0.5897 | |
| 57 | G | H | -0.1713 | |
| 58 | M | H | 0.1804 | |
| 59 | T | H | -0.0367 | |
| 60 | N | H | -0.7161 | |
| 61 | Y | H | -1.0798 | |
| 62 | A | H | -1.5167 | |
| 63 | D | H | -2.4947 | |
| 64 | S | H | -1.8066 | |
| 65 | V | H | 0.0000 | |
| 66 | K | H | -2.6574 | |
| 67 | G | H | -1.7800 | |
| 68 | R | H | -1.3613 | |
| 69 | F | H | 0.0000 | |
| 70 | T | H | -0.8231 | |
| 71 | I | H | 0.0000 | |
| 72 | S | H | -0.3616 | |
| 73 | R | H | -1.2534 | |
| 74 | D | H | -1.8379 | |
| 75 | N | H | -2.6319 | |
| 76 | A | H | -1.7627 | |
| 77 | K | H | -2.3694 | |
| 78 | N | H | -1.9285 | |
| 79 | T | H | 0.0000 | |
| 80 | V | H | 0.0000 | |
| 81 | Y | H | -0.3890 | |
| 82 | L | H | 0.0000 | |
| 83 | Q | H | -1.0082 | |
| 84 | M | H | 0.0000 | |
| 85 | N | H | -1.4317 | |
| 86 | S | H | -1.2273 | |
| 87 | L | H | 0.0000 | |
| 88 | K | H | -2.1157 | |
| 89 | P | H | -1.8265 | |
| 90 | E | H | -2.2670 | |
| 91 | D | H | 0.0000 | |
| 92 | T | H | -0.9904 | |
| 93 | A | H | 0.0000 | |
| 94 | V | H | -0.7256 | |
| 95 | Y | H | 0.0000 | |
| 96 | Y | H | -0.2853 | |
| 97 | C | H | 0.0000 | |
| 98 | H | H | 0.0000 | |
| 99 | T | H | 0.0000 | |
| 100 | L | H | 0.0000 | |
| 101 | P | H | -0.7537 | |
| 102 | R | H | -0.9704 | |
| 103 | F | H | 0.9557 | |
| 104 | S | H | 0.0189 | |
| 105 | H | H | -0.0946 | |
| 106 | L | H | -0.4218 | |
| 107 | W | H | -0.0091 | |
| 108 | G | H | 0.0000 | |
| 109 | Q | H | -0.8338 | |
| 110 | G | H | -0.6936 | |
| 111 | T | H | -1.0033 | |
| 112 | R | H | -1.6488 | |
| 113 | V | H | 0.0000 | |
| 114 | T | H | -0.4791 | |
| 115 | V | H | 0.0000 | |
| 116 | S | H | -0.8900 | |
| 117 | S | H | -1.1186 |
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