| Chain sequence(s) |
A: MTEYKLVVVGACGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHQYREQIKRVKDSDDVPMVLVGNKCDLAARTVESRQAQDLARSYGIPYIETSAKTRQGVEDAFYTLVREIRQH
C: SVPTKLEVVAATPTSLLISWDAPAVTVFFYVITYGETGHGVGAFQAFKVPGSKSTATISGLKPGVDYTITVYARGYSKQGPYKPSPISINYRT B: MTEYKLVVVGACGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHQYREQIKRVKDSDDVPMVLVGNKCDLAARTVESRQAQDLARSYGIPYIETSAKTRQGVEDAFYTLVREIRQH E: MTEYKLVVVGACGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHQYREQIKRVKDSDDVPMVLVGNKCDLAARTVESRQAQDLARSYGIPYIETSAKTRQGVEDAFYTLVREIRQ D: SVPTKLEVVAATPTSLLISWDAPAVTVFFYVITYGETGHGVGAFQAFKVPGSKSTATISGLKPGVDYTITVYARGYSKQGPYKPSPISINYRT G: MTEYKLVVVGACGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHQYREQIKRVKDSDDVPMVLVGNKCDLAARTVESRQAQDLARSYGIPYIETSAKTRQGVEDAFYTLVREIRQH F: SVPTKLEVVAATPTSLLISWDAPAVTVFFYVITYGETGHGVGAFQAFKVPGSKSTATISGLKPGVDYTITVYARGYSKQGPYKPSPISINYRT H: VPTKLEVVAATPTSLLISWDAPAVTVFFYVITYGETGHGVGAFQAFKVPGSKSTATISGLKPGVDYTITVYARGYSKQGPYKPSPISINYRT 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 (00:14:55)
[INFO] Main: Simulation completed successfully. (00:15:07)
|
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 | |
| 1 | M | A | 0.4163 | |
| 2 | T | A | -0.5938 | |
| 3 | E | A | -2.2352 | |
| 4 | Y | A | 0.0000 | |
| 5 | K | A | -1.9071 | |
| 6 | L | A | 0.0000 | |
| 7 | V | A | 0.0000 | |
| 8 | V | A | 0.0000 | |
| 9 | V | A | 0.0000 | |
| 10 | G | A | 0.0000 | |
| 11 | A | A | 0.0000 | |
| 12 | C | A | 0.0000 | |
| 13 | G | A | -0.2120 | |
| 14 | V | A | 0.0000 | |
| 15 | G | A | -0.2963 | |
| 16 | K | A | 0.0000 | |
| 17 | S | A | -0.1204 | |
| 18 | A | A | -0.6181 | |
| 19 | L | A | 0.0000 | |
| 20 | T | A | 0.0000 | |
| 21 | I | A | 0.0000 | |
| 22 | Q | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | I | A | 0.0000 | |
| 25 | Q | A | -0.5246 | |
| 26 | N | A | -0.6006 | |
| 27 | H | A | -0.8660 | |
| 28 | F | A | -0.6653 | |
| 29 | V | A | -0.9287 | |
| 30 | D | A | -2.2897 | |
| 31 | E | A | -2.5655 | |
| 32 | Y | A | -1.3592 | |
| 33 | D | A | -1.7446 | |
| 34 | P | A | 0.0000 | |
| 35 | T | A | -0.9792 | |
| 36 | I | A | -0.8044 | |
| 37 | E | A | -1.9736 | |
| 38 | D | A | -1.5788 | |
| 39 | S | A | -1.3722 | |
| 40 | Y | A | 0.0000 | |
| 41 | R | A | -2.5362 | |
| 42 | K | A | -1.8412 | |
| 43 | Q | A | -1.4598 | |
| 44 | V | A | -0.7026 | |
| 45 | V | A | -0.7833 | |
| 46 | I | A | 0.0000 | |
| 47 | D | A | -1.9697 | |
| 48 | G | A | -1.5215 | |
| 49 | E | A | -1.7051 | |
| 50 | T | A | -1.1443 | |
| 51 | C | A | 0.0000 | |
| 52 | L | A | -1.2305 | |
| 53 | L | A | 0.0000 | |
| 54 | D | A | -1.9220 | |
| 55 | I | A | 0.0000 | |
| 56 | L | A | -0.7700 | |
| 57 | D | A | 0.0000 | |
| 58 | T | A | 0.0000 | |
| 59 | A | A | 0.0000 | |
| 60 | G | A | 0.0000 | |
| 61 | Q | A | -0.4526 | |
| 62 | E | A | -0.4466 | |
| 63 | E | A | -0.6281 | |
| 64 | Y | A | 0.2233 | |
| 65 | S | A | -0.2602 | |
| 66 | A | A | -0.1568 | |
| 67 | M | A | -0.0316 | |
| 68 | R | A | -0.9846 | |
| 69 | D | A | -1.8691 | |
| 70 | Q | A | -1.9777 | |
| 71 | Y | A | -1.4174 | |
| 72 | M | A | 0.0000 | |
| 73 | R | A | -3.1682 | |
| 74 | T | A | -1.7850 | |
| 75 | G | A | 0.0000 | |
| 76 | E | A | -1.9364 | |
| 77 | G | A | 0.0000 | |
| 78 | F | A | 0.0000 | |
| 79 | L | A | 0.0000 | |
| 80 | C | A | 0.0000 | |
| 81 | V | A | 0.0000 | |
| 82 | F | A | 0.0000 | |
| 83 | A | A | 0.0000 | |
| 84 | I | A | 0.0000 | |
| 85 | N | A | -0.5621 | |
| 86 | N | A | 0.0000 | |
| 87 | T | A | -1.3561 | |
| 88 | K | A | -1.8478 | |
| 89 | S | A | 0.0000 | |
| 90 | F | A | -1.3178 | |
| 91 | E | A | -2.5516 | |
| 92 | D | A | -1.9156 | |
| 93 | I | A | 0.0000 | |
| 94 | H | A | -2.0914 | |
| 95 | Q | A | -2.4422 | |
| 96 | Y | A | -1.7502 | |
| 97 | R | A | 0.0000 | |
| 98 | E | A | -3.0226 | |
| 99 | Q | A | -2.4503 | |
| 100 | I | A | 0.0000 | |
| 101 | K | A | -3.9058 | |
| 102 | R | A | -3.8544 | |
| 103 | V | A | 0.0000 | |
| 104 | K | A | -3.4348 | |
| 105 | D | A | -3.6732 | |
| 106 | S | A | -3.2856 | |
| 107 | D | A | -3.7637 | |
| 108 | D | A | -3.2497 | |
| 109 | V | A | 0.0000 | |
| 110 | P | A | 0.0000 | |
| 111 | M | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | L | A | 0.0000 | |
| 114 | V | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | N | A | 0.0000 | |
| 117 | K | A | 0.0000 | |
| 118 | C | A | 0.0000 | |
| 119 | D | A | -0.6335 | |
| 120 | L | A | -0.0806 | |
| 121 | A | A | -0.1617 | |
| 122 | A | A | -0.0842 | |
| 123 | R | A | -0.7032 | |
| 124 | T | A | -0.7857 | |
| 125 | V | A | 0.0000 | |
| 126 | E | A | -2.5470 | |
| 127 | S | A | -2.0852 | |
| 128 | R | A | -2.8103 | |
| 129 | Q | A | -2.3919 | |
| 130 | A | A | 0.0000 | |
| 131 | Q | A | 0.0000 | |
| 132 | D | A | -1.8107 | |
| 133 | L | A | -1.1128 | |
| 134 | A | A | 0.0000 | |
| 135 | R | A | -2.4107 | |
| 136 | S | A | -1.1357 | |
| 137 | Y | A | -1.0672 | |
| 138 | G | A | -1.6861 | |
| 139 | I | A | -0.8619 | |
| 140 | P | A | -0.5323 | |
| 141 | Y | A | -0.1936 | |
| 142 | I | A | 0.0000 | |
| 143 | E | A | -0.2256 | |
| 144 | T | A | 0.0000 | |
| 145 | S | A | 0.0000 | |
| 146 | A | A | 0.0000 | |
| 147 | K | A | -1.1267 | |
| 148 | T | A | -0.7376 | |
| 149 | R | A | -0.9058 | |
| 150 | Q | A | 0.0000 | |
| 151 | G | A | -0.4685 | |
| 152 | V | A | 0.0000 | |
| 153 | E | A | -0.8352 | |
| 154 | D | A | 0.0000 | |
| 155 | A | A | 0.0000 | |
| 156 | F | A | 0.0000 | |
| 157 | Y | A | -0.1611 | |
| 158 | T | A | -0.2790 | |
| 159 | L | A | 0.0000 | |
| 160 | V | A | 0.0000 | |
| 161 | R | A | -1.1151 | |
| 162 | E | A | -1.3557 | |
| 163 | I | A | -1.2996 | |
| 164 | R | A | -1.4932 | |
| 165 | Q | A | -2.0546 | |
| 166 | H | A | -2.0841 | |
| 1 | M | B | 0.2776 | |
| 2 | T | B | -0.6849 | |
| 3 | E | B | -2.2893 | |
| 4 | Y | B | 0.0000 | |
| 5 | K | B | -1.6935 | |
| 6 | L | B | 0.0000 | |
| 7 | V | B | 0.0000 | |
| 8 | V | B | 0.0000 | |
| 9 | V | B | 0.0000 | |
| 10 | G | B | 0.0000 | |
| 11 | A | B | 0.0000 | |
| 12 | C | B | 0.0000 | |
| 13 | G | B | -0.1720 | |
| 14 | V | B | 0.0000 | |
| 15 | G | B | -0.3196 | |
| 16 | K | B | 0.0000 | |
| 17 | S | B | -0.1152 | |
| 18 | A | B | -0.5511 | |
| 19 | L | B | 0.0000 | |
| 20 | T | B | 0.0000 | |
| 21 | I | B | 0.0000 | |
| 22 | Q | B | 0.0000 | |
| 23 | L | B | 0.0000 | |
| 24 | I | B | -0.6230 | |
| 25 | Q | B | -0.4238 | |
| 26 | N | B | -0.5063 | |
| 27 | H | B | -0.6478 | |
| 28 | F | B | -0.4503 | |
| 29 | V | B | -0.5766 | |
| 30 | D | B | -2.0171 | |
| 31 | E | B | -2.0543 | |
| 32 | Y | B | -1.0952 | |
| 33 | D | B | -1.5803 | |
| 34 | P | B | 0.0000 | |
| 35 | T | B | -0.9823 | |
| 36 | I | B | -0.8382 | |
| 37 | E | B | -2.0450 | |
| 38 | D | B | -1.8258 | |
| 39 | S | B | -1.6163 | |
| 40 | Y | B | 0.0000 | |
| 41 | R | B | -2.7600 | |
| 42 | K | B | -2.0437 | |
| 43 | Q | B | -1.7818 | |
| 44 | V | B | 0.0000 | |
| 45 | V | B | -0.9143 | |
| 46 | I | B | 0.0000 | |
| 47 | D | B | -1.8722 | |
| 48 | G | B | -1.7862 | |
| 49 | E | B | -1.9632 | |
| 50 | T | B | -1.3134 | |
| 51 | C | B | 0.0000 | |
| 52 | L | B | 0.0000 | |
| 53 | L | B | 0.0000 | |
| 54 | D | B | -1.9827 | |
| 55 | I | B | 0.0000 | |
| 56 | L | B | -0.9225 | |
| 57 | D | B | 0.0000 | |
| 58 | T | B | 0.0000 | |
| 59 | A | B | 0.0000 | |
| 60 | G | B | 0.0000 | |
| 61 | Q | B | -0.4766 | |
| 62 | E | B | -0.5223 | |
| 63 | E | B | -0.5987 | |
| 64 | Y | B | 0.1557 | |
| 65 | S | B | -0.6091 | |
| 66 | A | B | -0.6572 | |
| 67 | M | B | -0.8838 | |
| 68 | R | B | -1.4985 | |
| 69 | D | B | -2.6643 | |
| 70 | Q | B | -2.4752 | |
| 71 | Y | B | 0.0000 | |
| 72 | M | B | 0.0000 | |
| 73 | R | B | -3.3276 | |
| 74 | T | B | -1.8309 | |
| 75 | G | B | 0.0000 | |
| 76 | E | B | -1.7723 | |
| 77 | G | B | 0.0000 | |
| 78 | F | B | 0.0000 | |
| 79 | L | B | 0.0000 | |
| 80 | C | B | 0.0000 | |
| 81 | V | B | 0.0000 | |
| 82 | F | B | 0.0000 | |
| 83 | A | B | 0.0000 | |
| 84 | I | B | 0.0000 | |
| 85 | N | B | -0.7155 | |
| 86 | N | B | 0.0000 | |
| 87 | T | B | -1.6872 | |
| 88 | K | B | -2.4225 | |
| 89 | S | B | 0.0000 | |
| 90 | F | B | 0.0000 | |
| 91 | E | B | -2.8615 | |
| 92 | D | B | -2.1624 | |
| 93 | I | B | 0.0000 | |
| 94 | H | B | -2.0947 | |
| 95 | Q | B | -2.2226 | |
| 96 | Y | B | 0.0000 | |
| 97 | R | B | 0.0000 | |
| 98 | E | B | -2.6422 | |
| 99 | Q | B | -2.3152 | |
| 100 | I | B | 0.0000 | |
| 101 | K | B | -3.5525 | |
| 102 | R | B | -3.6939 | |
| 103 | V | B | -2.8234 | |
| 104 | K | B | -3.3746 | |
| 105 | D | B | -3.5728 | |
| 106 | S | B | -3.1589 | |
| 107 | D | B | -3.6250 | |
| 108 | D | B | -3.2404 | |
| 109 | V | B | 0.0000 | |
| 110 | P | B | -1.4061 | |
| 111 | M | B | 0.0000 | |
| 112 | V | B | 0.0000 | |
| 113 | L | B | 0.0000 | |
| 114 | V | B | 0.0000 | |
| 115 | G | B | 0.0000 | |
| 116 | N | B | 0.0000 | |
| 117 | K | B | 0.0000 | |
| 118 | C | B | 0.0000 | |
| 119 | D | B | -0.9168 | |
| 120 | L | B | -0.1483 | |
| 121 | A | B | -0.1968 | |
| 122 | A | B | -0.1420 | |
| 123 | R | B | -0.8501 | |
| 124 | T | B | -0.9354 | |
| 125 | V | B | 0.0000 | |
| 126 | E | B | -2.6667 | |
| 127 | S | B | -1.9958 | |
| 128 | R | B | -2.7888 | |
| 129 | Q | B | -2.3122 | |
| 130 | A | B | 0.0000 | |
| 131 | Q | B | -1.8026 | |
| 132 | D | B | -1.6342 | |
| 133 | L | B | -0.9484 | |
| 134 | A | B | 0.0000 | |
| 135 | R | B | -1.9365 | |
| 136 | S | B | -0.8706 | |
| 137 | Y | B | -0.9118 | |
| 138 | G | B | -1.3720 | |
| 139 | I | B | 0.0000 | |
| 140 | P | B | -0.4854 | |
| 141 | Y | B | -0.0872 | |
| 142 | I | B | 0.0567 | |
| 143 | E | B | -0.1789 | |
| 144 | T | B | 0.0000 | |
| 145 | S | B | 0.0000 | |
| 146 | A | B | 0.0000 | |
| 147 | K | B | -1.4724 | |
| 148 | T | B | -0.9876 | |
| 149 | R | B | -1.1248 | |
| 150 | Q | B | 0.0000 | |
| 151 | G | B | -0.5964 | |
| 152 | V | B | 0.0000 | |
| 153 | E | B | -1.1123 | |
| 154 | D | B | -0.7933 | |
| 155 | A | B | 0.0000 | |
| 156 | F | B | 0.0000 | |
| 157 | Y | B | -0.3071 | |
| 158 | T | B | -0.3380 | |
| 159 | L | B | 0.0000 | |
| 160 | V | B | 0.0000 | |
| 161 | R | B | -1.0464 | |
| 162 | E | B | -1.3100 | |
| 163 | I | B | -1.2090 | |
| 164 | R | B | -1.4703 | |
| 165 | Q | B | -2.0297 | |
| 166 | H | B | -2.0655 | |
| 3 | S | C | -0.1933 | |
| 4 | V | C | -0.0111 | |
| 5 | P | C | 0.0000 | |
| 6 | T | C | -1.2510 | |
| 7 | K | C | -2.3061 | |
| 8 | L | C | 0.0000 | |
| 9 | E | C | -1.8220 | |
| 10 | V | C | 0.0686 | |
| 11 | V | C | 1.2499 | |
| 12 | A | C | 0.7686 | |
| 13 | A | C | 0.4467 | |
| 14 | T | C | -0.1781 | |
| 15 | P | C | -0.9321 | |
| 16 | T | C | -1.0014 | |
| 17 | S | C | -0.5099 | |
| 18 | L | C | 0.0000 | |
| 19 | L | C | 0.7044 | |
| 20 | I | C | 0.0000 | |
| 21 | S | C | -0.7495 | |
| 22 | W | C | 0.0000 | |
| 23 | D | C | -1.6695 | |
| 24 | A | C | -0.5607 | |
| 25 | P | C | 0.3145 | |
| 26 | A | C | 0.6619 | |
| 27 | V | C | 1.6210 | |
| 28 | T | C | 0.9456 | |
| 29 | V | C | 0.7463 | |
| 30 | F | C | 0.7126 | |
| 31 | F | C | 0.0000 | |
| 32 | Y | C | 0.0000 | |
| 33 | V | C | 0.0000 | |
| 34 | I | C | 0.0000 | |
| 35 | T | C | 0.0000 | |
| 36 | Y | C | -0.4136 | |
| 37 | G | C | 0.0000 | |
| 38 | E | C | -2.4874 | |
| 39 | T | C | -1.6203 | |
| 40 | G | C | -1.2185 | |
| 41 | H | C | -1.1881 | |
| 42 | G | C | -0.7238 | |
| 43 | V | C | -0.2610 | |
| 44 | G | C | -0.4644 | |
| 45 | A | C | -0.3330 | |
| 46 | F | C | -0.3041 | |
| 47 | Q | C | -0.3238 | |
| 48 | A | C | 0.0000 | |
| 49 | F | C | 0.0211 | |
| 50 | K | C | 0.0000 | |
| 51 | V | C | 0.0000 | |
| 52 | P | C | -0.5484 | |
| 53 | G | C | -0.4375 | |
| 54 | S | C | -0.7931 | |
| 55 | K | C | -1.4725 | |
| 56 | S | C | -0.9844 | |
| 57 | T | C | -0.4886 | |
| 58 | A | C | 0.0000 | |
| 59 | T | C | 0.1079 | |
| 60 | I | C | 0.0000 | |
| 61 | S | C | -0.6588 | |
| 62 | G | C | -1.1848 | |
| 63 | L | C | 0.0000 | |
| 64 | K | C | -2.3265 | |
| 65 | P | C | -1.4968 | |
| 66 | G | C | -1.0381 | |
| 67 | V | C | -1.2415 | |
| 68 | D | C | -1.6571 | |
| 69 | Y | C | 0.0000 | |
| 70 | T | C | -1.0738 | |
| 71 | I | C | 0.0000 | |
| 72 | T | C | 0.0089 | |
| 73 | V | C | 0.0000 | |
| 74 | Y | C | -0.2153 | |
| 75 | A | C | 0.0000 | |
| 76 | R | C | 0.0000 | |
| 77 | G | C | 0.0000 | |
| 78 | Y | C | 0.7139 | |
| 79 | S | C | -0.7056 | |
| 80 | K | C | -2.1373 | |
| 81 | Q | C | -2.0744 | |
| 82 | G | C | -1.3243 | |
| 83 | P | C | -0.8288 | |
| 84 | Y | C | -0.4280 | |
| 85 | K | C | -1.6603 | |
| 86 | P | C | -0.8253 | |
| 87 | S | C | -0.5821 | |
| 88 | P | C | -0.2917 | |
| 89 | I | C | 0.0818 | |
| 90 | S | C | -0.5046 | |
| 91 | I | C | -0.5811 | |
| 92 | N | C | -1.4816 | |
| 93 | Y | C | -0.7700 | |
| 94 | R | C | -0.7321 | |
| 95 | T | C | -0.7975 | |
| 3 | S | D | -0.2693 | |
| 4 | V | D | -0.4386 | |
| 5 | P | D | 0.0000 | |
| 6 | T | D | -1.5575 | |
| 7 | K | D | -2.5516 | |
| 8 | L | D | 0.0000 | |
| 9 | E | D | -1.8337 | |
| 10 | V | D | 0.1175 | |
| 11 | V | D | 1.3045 | |
| 12 | A | D | 0.8044 | |
| 13 | A | D | 0.2957 | |
| 14 | T | D | -0.1526 | |
| 15 | P | D | -1.0650 | |
| 16 | T | D | -0.9666 | |
| 17 | S | D | -0.4885 | |
| 18 | L | D | 0.0000 | |
| 19 | L | D | 0.7759 | |
| 20 | I | D | 0.0000 | |
| 21 | S | D | -0.8895 | |
| 22 | W | D | 0.0000 | |
| 23 | D | D | -2.5594 | |
| 24 | A | D | -1.0329 | |
| 25 | P | D | 0.0674 | |
| 26 | A | D | 0.5786 | |
| 27 | V | D | 1.6279 | |
| 28 | T | D | 0.9551 | |
| 29 | V | D | 0.0000 | |
| 30 | F | D | 0.8369 | |
| 31 | F | D | 0.0000 | |
| 32 | Y | D | 0.0000 | |
| 33 | V | D | 0.0000 | |
| 34 | I | D | 0.0000 | |
| 35 | T | D | 0.0000 | |
| 36 | Y | D | -0.3944 | |
| 37 | G | D | 0.0000 | |
| 38 | E | D | -2.8582 | |
| 39 | T | D | -1.9778 | |
| 40 | G | D | -1.2868 | |
| 41 | H | D | -1.1307 | |
| 42 | G | D | -0.6607 | |
| 43 | V | D | -0.1399 | |
| 44 | G | D | -0.4188 | |
| 45 | A | D | -0.3065 | |
| 46 | F | D | -0.2829 | |
| 47 | Q | D | -0.3909 | |
| 48 | A | D | 0.0000 | |
| 49 | F | D | -0.0831 | |
| 50 | K | D | -0.2728 | |
| 51 | V | D | 0.0000 | |
| 52 | P | D | -0.5843 | |
| 53 | G | D | -0.5585 | |
| 54 | S | D | -0.8280 | |
| 55 | K | D | -1.6740 | |
| 56 | S | D | -1.2399 | |
| 57 | T | D | -0.6016 | |
| 58 | A | D | -0.1084 | |
| 59 | T | D | 0.1297 | |
| 60 | I | D | 0.0000 | |
| 61 | S | D | -0.6526 | |
| 62 | G | D | -1.0444 | |
| 63 | L | D | 0.0000 | |
| 64 | K | D | -2.5285 | |
| 65 | P | D | -1.6978 | |
| 66 | G | D | -1.5740 | |
| 67 | V | D | -1.9015 | |
| 68 | D | D | -3.0518 | |
| 69 | Y | D | 0.0000 | |
| 70 | T | D | -1.4543 | |
| 71 | I | D | 0.0000 | |
| 72 | T | D | -0.0284 | |
| 73 | V | D | 0.0000 | |
| 74 | Y | D | 0.0000 | |
| 75 | A | D | 0.0000 | |
| 76 | R | D | 0.0000 | |
| 77 | G | D | 0.0000 | |
| 78 | Y | D | 0.6684 | |
| 79 | S | D | -0.6114 | |
| 80 | K | D | -2.1332 | |
| 81 | Q | D | -2.0438 | |
| 82 | G | D | -1.2790 | |
| 83 | P | D | -0.6229 | |
| 84 | Y | D | -0.3688 | |
| 85 | K | D | -1.6291 | |
| 86 | P | D | -0.8605 | |
| 87 | S | D | -0.5952 | |
| 88 | P | D | -0.3293 | |
| 89 | I | D | 0.0413 | |
| 90 | S | D | -0.5204 | |
| 91 | I | D | -0.5790 | |
| 92 | N | D | -1.9837 | |
| 93 | Y | D | -1.7099 | |
| 94 | R | D | -2.9265 | |
| 95 | T | D | -1.7012 | |
| 1 | M | E | 0.4286 | |
| 2 | T | E | -0.5716 | |
| 3 | E | E | -2.0393 | |
| 4 | Y | E | 0.0000 | |
| 5 | K | E | -1.4320 | |
| 6 | L | E | 0.0000 | |
| 7 | V | E | 0.0000 | |
| 8 | V | E | 0.0000 | |
| 9 | V | E | 0.0000 | |
| 10 | G | E | 0.0000 | |
| 11 | A | E | 0.0000 | |
| 12 | C | E | 0.0000 | |
| 13 | G | E | -0.1283 | |
| 14 | V | E | 0.0000 | |
| 15 | G | E | -0.3370 | |
| 16 | K | E | 0.0000 | |
| 17 | S | E | -0.0960 | |
| 18 | A | E | -0.5908 | |
| 19 | L | E | 0.0000 | |
| 20 | T | E | 0.0000 | |
| 21 | I | E | 0.0544 | |
| 22 | Q | E | 0.0000 | |
| 23 | L | E | 0.0000 | |
| 24 | I | E | -0.6295 | |
| 25 | Q | E | -0.9329 | |
| 26 | N | E | -1.0680 | |
| 27 | H | E | -1.5427 | |
| 28 | F | E | -1.2575 | |
| 29 | V | E | -1.0335 | |
| 30 | D | E | -2.4387 | |
| 31 | E | E | -2.3603 | |
| 32 | Y | E | -1.1943 | |
| 33 | D | E | -1.6037 | |
| 34 | P | E | 0.0000 | |
| 35 | T | E | -1.0458 | |
| 36 | I | E | -0.9860 | |
| 37 | E | E | -2.1562 | |
| 38 | D | E | -1.9411 | |
| 39 | S | E | -1.4239 | |
| 40 | Y | E | -1.1711 | |
| 41 | R | E | -2.3729 | |
| 42 | K | E | -1.6112 | |
| 43 | Q | E | -0.8189 | |
| 44 | V | E | -0.2138 | |
| 45 | V | E | 0.3896 | |
| 46 | I | E | 0.0000 | |
| 47 | D | E | -1.0119 | |
| 48 | G | E | -1.1792 | |
| 49 | E | E | -1.3218 | |
| 50 | T | E | -0.3902 | |
| 51 | C | E | 0.0000 | |
| 52 | L | E | -0.8734 | |
| 53 | L | E | 0.0000 | |
| 54 | D | E | 0.0000 | |
| 55 | I | E | 0.0000 | |
| 56 | L | E | -0.8061 | |
| 57 | D | E | 0.0000 | |
| 58 | T | E | 0.0000 | |
| 59 | A | E | 0.0000 | |
| 60 | G | E | 0.0000 | |
| 61 | Q | E | -0.8180 | |
| 62 | E | E | -0.8000 | |
| 63 | E | E | -0.7448 | |
| 64 | Y | E | -0.0287 | |
| 65 | S | E | -0.5580 | |
| 66 | A | E | -0.5148 | |
| 67 | M | E | -0.7358 | |
| 68 | R | E | -1.3943 | |
| 69 | D | E | -2.1146 | |
| 70 | Q | E | -2.1943 | |
| 71 | Y | E | 0.0000 | |
| 72 | M | E | 0.0000 | |
| 73 | R | E | -3.1697 | |
| 74 | T | E | -1.7468 | |
| 75 | G | E | 0.0000 | |
| 76 | E | E | -1.8494 | |
| 77 | G | E | 0.0000 | |
| 78 | F | E | 0.0000 | |
| 79 | L | E | 0.0000 | |
| 80 | C | E | 0.0000 | |
| 81 | V | E | 0.0000 | |
| 82 | F | E | 0.0000 | |
| 83 | A | E | 0.0000 | |
| 84 | I | E | 0.0000 | |
| 85 | N | E | -0.6139 | |
| 86 | N | E | 0.0000 | |
| 87 | T | E | -1.5693 | |
| 88 | K | E | -2.4185 | |
| 89 | S | E | 0.0000 | |
| 90 | F | E | 0.0000 | |
| 91 | E | E | -2.9313 | |
| 92 | D | E | -2.2985 | |
| 93 | I | E | 0.0000 | |
| 94 | H | E | -2.3936 | |
| 95 | Q | E | -2.5371 | |
| 96 | Y | E | -1.7792 | |
| 97 | R | E | 0.0000 | |
| 98 | E | E | -2.8964 | |
| 99 | Q | E | -2.3387 | |
| 100 | I | E | 0.0000 | |
| 101 | K | E | -3.5305 | |
| 102 | R | E | -3.5887 | |
| 103 | V | E | -2.6191 | |
| 104 | K | E | -3.1951 | |
| 105 | D | E | -3.4730 | |
| 106 | S | E | -3.0680 | |
| 107 | D | E | -3.6054 | |
| 108 | D | E | -3.0486 | |
| 109 | V | E | 0.0000 | |
| 110 | P | E | -1.2092 | |
| 111 | M | E | 0.0000 | |
| 112 | V | E | 0.0000 | |
| 113 | L | E | 0.0000 | |
| 114 | V | E | 0.0000 | |
| 115 | G | E | 0.0000 | |
| 116 | N | E | 0.0000 | |
| 117 | K | E | 0.0000 | |
| 118 | C | E | 0.0000 | |
| 119 | D | E | -1.0896 | |
| 120 | L | E | -0.2193 | |
| 121 | A | E | -0.2394 | |
| 122 | A | E | -0.2096 | |
| 123 | R | E | -0.7235 | |
| 124 | T | E | -0.6924 | |
| 125 | V | E | 0.0000 | |
| 126 | E | E | -1.7096 | |
| 127 | S | E | -1.9643 | |
| 128 | R | E | -3.0461 | |
| 129 | Q | E | -2.3418 | |
| 130 | A | E | 0.0000 | |
| 131 | Q | E | 0.0000 | |
| 132 | D | E | -2.0509 | |
| 133 | L | E | -1.2755 | |
| 134 | A | E | 0.0000 | |
| 135 | R | E | -2.1088 | |
| 136 | S | E | -0.8655 | |
| 137 | Y | E | -1.0886 | |
| 138 | G | E | -1.4169 | |
| 139 | I | E | 0.0000 | |
| 140 | P | E | -0.5374 | |
| 141 | Y | E | -0.2266 | |
| 142 | I | E | 0.0000 | |
| 143 | E | E | -0.4670 | |
| 144 | T | E | 0.0000 | |
| 145 | S | E | 0.0000 | |
| 146 | A | E | 0.0000 | |
| 147 | K | E | -1.8751 | |
| 148 | T | E | -1.5204 | |
| 149 | R | E | -1.2405 | |
| 150 | Q | E | 0.0000 | |
| 151 | G | E | 0.0000 | |
| 152 | V | E | 0.0000 | |
| 153 | E | E | -0.4077 | |
| 154 | D | E | 0.0000 | |
| 155 | A | E | 0.0000 | |
| 156 | F | E | 0.0000 | |
| 157 | Y | E | 0.1495 | |
| 158 | T | E | 0.0000 | |
| 159 | L | E | 0.0000 | |
| 160 | V | E | 0.0000 | |
| 161 | R | E | 0.0000 | |
| 162 | E | E | -0.8367 | |
| 163 | I | E | -0.6599 | |
| 164 | R | E | -0.8733 | |
| 165 | Q | E | -1.3719 | |
| 3 | S | F | -0.3189 | |
| 4 | V | F | -0.3340 | |
| 5 | P | F | 0.0000 | |
| 6 | T | F | -1.5560 | |
| 7 | K | F | -2.5465 | |
| 8 | L | F | 0.0000 | |
| 9 | E | F | -1.8543 | |
| 10 | V | F | 0.1274 | |
| 11 | V | F | 1.5009 | |
| 12 | A | F | 0.8898 | |
| 13 | A | F | 0.3299 | |
| 14 | T | F | -0.1611 | |
| 15 | P | F | -1.0263 | |
| 16 | T | F | -0.9566 | |
| 17 | S | F | -0.4981 | |
| 18 | L | F | 0.0000 | |
| 19 | L | F | 0.7969 | |
| 20 | I | F | 0.0000 | |
| 21 | S | F | -0.8267 | |
| 22 | W | F | 0.0000 | |
| 23 | D | F | -2.3523 | |
| 24 | A | F | -0.9573 | |
| 25 | P | F | 0.0327 | |
| 26 | A | F | 0.4849 | |
| 27 | V | F | 1.4116 | |
| 28 | T | F | 0.8098 | |
| 29 | V | F | 0.0000 | |
| 30 | F | F | 0.6764 | |
| 31 | F | F | 0.0000 | |
| 32 | Y | F | 0.0000 | |
| 33 | V | F | 0.0000 | |
| 34 | I | F | 0.0000 | |
| 35 | T | F | 0.0000 | |
| 36 | Y | F | -0.3923 | |
| 37 | G | F | 0.0000 | |
| 38 | E | F | -2.6352 | |
| 39 | T | F | -1.7478 | |
| 40 | G | F | -1.1990 | |
| 41 | H | F | -1.1511 | |
| 42 | G | F | -0.6158 | |
| 43 | V | F | -0.0994 | |
| 44 | G | F | -0.4350 | |
| 45 | A | F | -0.2918 | |
| 46 | F | F | -0.2757 | |
| 47 | Q | F | -0.3826 | |
| 48 | A | F | 0.0000 | |
| 49 | F | F | -0.0075 | |
| 50 | K | F | 0.0000 | |
| 51 | V | F | 0.0000 | |
| 52 | P | F | -0.5479 | |
| 53 | G | F | -0.5291 | |
| 54 | S | F | -0.7783 | |
| 55 | K | F | -1.5056 | |
| 56 | S | F | -1.1209 | |
| 57 | T | F | -0.5279 | |
| 58 | A | F | 0.0000 | |
| 59 | T | F | 0.1067 | |
| 60 | I | F | 0.0000 | |
| 61 | S | F | -0.6583 | |
| 62 | G | F | -1.0477 | |
| 63 | L | F | 0.0000 | |
| 64 | K | F | -2.4011 | |
| 65 | P | F | -1.5272 | |
| 66 | G | F | -1.2358 | |
| 67 | V | F | -1.4856 | |
| 68 | D | F | -2.1853 | |
| 69 | Y | F | 0.0000 | |
| 70 | T | F | -1.2679 | |
| 71 | I | F | 0.0000 | |
| 72 | T | F | -0.0375 | |
| 73 | V | F | 0.0000 | |
| 74 | Y | F | 0.0000 | |
| 75 | A | F | 0.0000 | |
| 76 | R | F | 0.0000 | |
| 77 | G | F | 0.0000 | |
| 78 | Y | F | 0.5585 | |
| 79 | S | F | -0.6378 | |
| 80 | K | F | -2.1120 | |
| 81 | Q | F | -1.9120 | |
| 82 | G | F | -1.4101 | |
| 83 | P | F | -0.6732 | |
| 84 | Y | F | -0.4312 | |
| 85 | K | F | -1.6196 | |
| 86 | P | F | -0.9692 | |
| 87 | S | F | -0.6667 | |
| 88 | P | F | -0.3745 | |
| 89 | I | F | -0.0333 | |
| 90 | S | F | -0.5338 | |
| 91 | I | F | -0.6003 | |
| 92 | N | F | -1.7868 | |
| 93 | Y | F | -1.4307 | |
| 94 | R | F | -2.5021 | |
| 95 | T | F | -1.4447 | |
| 1 | M | G | 0.3435 | |
| 2 | T | G | -0.6795 | |
| 3 | E | G | -2.4930 | |
| 4 | Y | G | 0.0000 | |
| 5 | K | G | -2.3602 | |
| 6 | L | G | 0.0000 | |
| 7 | V | G | 0.0000 | |
| 8 | V | G | 0.0000 | |
| 9 | V | G | 0.0000 | |
| 10 | G | G | 0.0000 | |
| 11 | A | G | 0.0000 | |
| 12 | C | G | 0.0000 | |
| 13 | G | G | -0.1727 | |
| 14 | V | G | 0.0000 | |
| 15 | G | G | -0.3231 | |
| 16 | K | G | 0.0000 | |
| 17 | S | G | -0.2718 | |
| 18 | A | G | -0.5336 | |
| 19 | L | G | 0.0000 | |
| 20 | T | G | 0.0000 | |
| 21 | I | G | 0.2662 | |
| 22 | Q | G | 0.0000 | |
| 23 | L | G | 0.0000 | |
| 24 | I | G | -0.4864 | |
| 25 | Q | G | -0.5403 | |
| 26 | N | G | -0.6861 | |
| 27 | H | G | -1.0649 | |
| 28 | F | G | -0.8236 | |
| 29 | V | G | -0.9131 | |
| 30 | D | G | -2.4141 | |
| 31 | E | G | -2.4095 | |
| 32 | Y | G | -1.2498 | |
| 33 | D | G | -1.6169 | |
| 34 | P | G | 0.0000 | |
| 35 | T | G | -1.0290 | |
| 36 | I | G | -0.7114 | |
| 37 | E | G | -2.2184 | |
| 38 | D | G | -2.1071 | |
| 39 | S | G | -1.6768 | |
| 40 | Y | G | -1.3915 | |
| 41 | R | G | -2.7881 | |
| 42 | K | G | -1.8769 | |
| 43 | Q | G | -1.5504 | |
| 44 | V | G | -0.8009 | |
| 45 | V | G | -0.2246 | |
| 46 | I | G | 0.0000 | |
| 47 | D | G | -1.2025 | |
| 48 | G | G | -1.3365 | |
| 49 | E | G | -1.4333 | |
| 50 | T | G | -0.7266 | |
| 51 | C | G | 0.0000 | |
| 52 | L | G | 0.0000 | |
| 53 | L | G | 0.0000 | |
| 54 | D | G | -2.4308 | |
| 55 | I | G | 0.0000 | |
| 56 | L | G | -1.0448 | |
| 57 | D | G | 0.0000 | |
| 58 | T | G | 0.0000 | |
| 59 | A | G | 0.0000 | |
| 60 | G | G | 0.0000 | |
| 61 | Q | G | -0.5462 | |
| 62 | E | G | 0.0000 | |
| 63 | E | G | -0.9292 | |
| 64 | Y | G | 0.0496 | |
| 65 | S | G | -0.2752 | |
| 66 | A | G | -0.2390 | |
| 67 | M | G | -0.2801 | |
| 68 | R | G | 0.0000 | |
| 69 | D | G | -1.6983 | |
| 70 | Q | G | -1.9737 | |
| 71 | Y | G | 0.0000 | |
| 72 | M | G | 0.0000 | |
| 73 | R | G | -3.1740 | |
| 74 | T | G | -1.9448 | |
| 75 | G | G | 0.0000 | |
| 76 | E | G | -2.5457 | |
| 77 | G | G | 0.0000 | |
| 78 | F | G | 0.0000 | |
| 79 | L | G | 0.0000 | |
| 80 | C | G | 0.0000 | |
| 81 | V | G | 0.0000 | |
| 82 | F | G | 0.0000 | |
| 83 | A | G | 0.0000 | |
| 84 | I | G | 0.0000 | |
| 85 | N | G | -0.5079 | |
| 86 | N | G | 0.0000 | |
| 87 | T | G | -1.3560 | |
| 88 | K | G | -1.9449 | |
| 89 | S | G | 0.0000 | |
| 90 | F | G | 0.0000 | |
| 91 | E | G | -2.6650 | |
| 92 | D | G | -2.0165 | |
| 93 | I | G | 0.0000 | |
| 94 | H | G | -2.2218 | |
| 95 | Q | G | -2.6079 | |
| 96 | Y | G | 0.0000 | |
| 97 | R | G | 0.0000 | |
| 98 | E | G | -3.3933 | |
| 99 | Q | G | -2.5861 | |
| 100 | I | G | 0.0000 | |
| 101 | K | G | -3.8600 | |
| 102 | R | G | -3.8631 | |
| 103 | V | G | 0.0000 | |
| 104 | K | G | -3.4498 | |
| 105 | D | G | -3.6148 | |
| 106 | S | G | -3.2449 | |
| 107 | D | G | -3.7546 | |
| 108 | D | G | -3.2451 | |
| 109 | V | G | 0.0000 | |
| 110 | P | G | 0.0000 | |
| 111 | M | G | 0.0000 | |
| 112 | V | G | 0.0000 | |
| 113 | L | G | 0.0000 | |
| 114 | V | G | 0.0000 | |
| 115 | G | G | 0.0000 | |
| 116 | N | G | 0.0000 | |
| 117 | K | G | 0.0000 | |
| 118 | C | G | -0.5332 | |
| 119 | D | G | -0.9984 | |
| 120 | L | G | -0.2447 | |
| 121 | A | G | -0.1832 | |
| 122 | A | G | -0.1334 | |
| 123 | R | G | -0.6090 | |
| 124 | T | G | -0.4976 | |
| 125 | V | G | 0.0000 | |
| 126 | E | G | -1.8409 | |
| 127 | S | G | -2.0154 | |
| 128 | R | G | -3.0445 | |
| 129 | Q | G | -2.4268 | |
| 130 | A | G | 0.0000 | |
| 131 | Q | G | -2.1524 | |
| 132 | D | G | -2.2652 | |
| 133 | L | G | -1.4469 | |
| 134 | A | G | 0.0000 | |
| 135 | R | G | -2.4072 | |
| 136 | S | G | -1.0832 | |
| 137 | Y | G | -1.1741 | |
| 138 | G | G | -1.7117 | |
| 139 | I | G | 0.0000 | |
| 140 | P | G | -0.6064 | |
| 141 | Y | G | -0.3027 | |
| 142 | I | G | 0.0000 | |
| 143 | E | G | -0.4752 | |
| 144 | T | G | 0.0000 | |
| 145 | S | G | 0.0000 | |
| 146 | A | G | 0.0000 | |
| 147 | K | G | -1.5582 | |
| 148 | T | G | -1.2398 | |
| 149 | R | G | -1.0959 | |
| 150 | Q | G | 0.0000 | |
| 151 | G | G | 0.0000 | |
| 152 | V | G | 0.0000 | |
| 153 | E | G | -0.6374 | |
| 154 | D | G | 0.0000 | |
| 155 | A | G | 0.0000 | |
| 156 | F | G | 0.0000 | |
| 157 | Y | G | -0.0447 | |
| 158 | T | G | -0.2411 | |
| 159 | L | G | 0.0000 | |
| 160 | V | G | 0.0000 | |
| 161 | R | G | -1.0087 | |
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| 163 | I | G | -1.4139 | |
| 164 | R | G | -1.4171 | |
| 165 | Q | G | -2.0220 | |
| 166 | H | G | -2.0847 | |
| 4 | V | H | 1.1614 | |
| 5 | P | H | 0.0000 | |
| 6 | T | H | -1.1229 | |
| 7 | K | H | -2.3913 | |
| 8 | L | H | 0.0000 | |
| 9 | E | H | -1.8961 | |
| 10 | V | H | 0.1121 | |
| 11 | V | H | 1.3393 | |
| 12 | A | H | 0.8179 | |
| 13 | A | H | 0.3114 | |
| 14 | T | H | -0.1597 | |
| 15 | P | H | -1.0651 | |
| 16 | T | H | -0.9550 | |
| 17 | S | H | -0.4921 | |
| 18 | L | H | 0.0000 | |
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| 20 | I | H | 0.0000 | |
| 21 | S | H | -0.9048 | |
| 22 | W | H | 0.0000 | |
| 23 | D | H | -2.3892 | |
| 24 | A | H | -0.7686 | |
| 25 | P | H | 0.4802 | |
| 26 | A | H | 0.7979 | |
| 27 | V | H | 1.8187 | |
| 28 | T | H | 1.0498 | |
| 29 | V | H | 0.0000 | |
| 30 | F | H | 0.9436 | |
| 31 | F | H | 0.0000 | |
| 32 | Y | H | 0.0000 | |
| 33 | V | H | 0.0000 | |
| 34 | I | H | 0.0000 | |
| 35 | T | H | 0.0000 | |
| 36 | Y | H | -0.3248 | |
| 37 | G | H | 0.0000 | |
| 38 | E | H | -2.2317 | |
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| 40 | G | H | -1.1157 | |
| 41 | H | H | -1.0805 | |
| 42 | G | H | -0.6861 | |
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| 44 | G | H | -0.5604 | |
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| 46 | F | H | -0.2328 | |
| 47 | Q | H | -0.3021 | |
| 48 | A | H | 0.0000 | |
| 49 | F | H | 0.0031 | |
| 50 | K | H | 0.0000 | |
| 51 | V | H | 0.0000 | |
| 52 | P | H | -0.5316 | |
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| 55 | K | H | -1.5604 | |
| 56 | S | H | -1.1958 | |
| 57 | T | H | -0.5805 | |
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| 60 | I | H | 0.0000 | |
| 61 | S | H | -0.6546 | |
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| 64 | K | H | -2.3834 | |
| 65 | P | H | -1.5943 | |
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| 68 | D | H | -2.0180 | |
| 69 | Y | H | 0.0000 | |
| 70 | T | H | -1.1522 | |
| 71 | I | H | 0.0000 | |
| 72 | T | H | 0.0063 | |
| 73 | V | H | 0.0000 | |
| 74 | Y | H | 0.0659 | |
| 75 | A | H | 0.0000 | |
| 76 | R | H | 0.0000 | |
| 77 | G | H | 0.0000 | |
| 78 | Y | H | 0.7311 | |
| 79 | S | H | -0.5745 | |
| 80 | K | H | -2.1093 | |
| 81 | Q | H | -1.9077 | |
| 82 | G | H | -1.4312 | |
| 83 | P | H | -0.8433 | |
| 84 | Y | H | -0.2639 | |
| 85 | K | H | -1.4157 | |
| 86 | P | H | -0.3929 | |
| 87 | S | H | -0.1355 | |
| 88 | P | H | 0.1455 | |
| 89 | I | H | 0.4442 | |
| 90 | S | H | -0.4886 | |
| 91 | I | H | -0.5925 | |
| 92 | N | H | -1.7319 | |
| 93 | Y | H | -1.3880 | |
| 94 | R | H | -2.4628 | |
| 95 | T | H | -1.4287 |
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