| Chain sequence(s) |
A: KKPKLLYCSNGGHFLRILPDGTVDGTRDRSDQHIQLQLSAESVGEVYIKSTETGQYLAMDTDGLLYGSQTPNEECLFLERLEENHYNTYISKKHAEKNWFVGLKKNGSCKRGPRTHYGQKAILFLPLPVS
C: KPKLLYCSNGGHFLRILPDGTVDGTRDRSDQHIQLQLSAESVGEVYIKSTETGQYLAMDTDGLLYGSQTPNEECLFLERLEENHYNTYISKKHAEKNWFVGLKKNGSCKRGPRTHYGQKAILFLPLPV B: PKLLYCSNGGHFLRILPDGTVDGTRDRSDQHIQLQLSAESVGEVYIKSTETGQYLAMDTDGLLYGSQTPNEECLFLERLEENHYNTYISKKHAEKNWFVGLKKNGSCKRGPRTHYGQKAILFLPLPV E: KPKLLYCSNGGHFLRILPDGTVDGTRDRSDQHIQLQLSAESVGEVYIKSTETGQYLAMDTDGLLYGSQTPNEECLFLERLEENHYNTYISKKHAEKNWFVGLKKNGSCKRGPRTHYGQKAILFLPLPVS D: PKLLYCSNGGHFLRILPDGTVDGTRDRSDQHIQLQLSAESVGEVYIKSTETGQYLAMDTDGLLYGSQTPNEECLFLERLEENHYNTYISKKHAEKNWFVGLKKNGSCKRGPRTHYGQKAILFLPLPV F: KPKLLYCSNGGHFLRILPDGTVDGTRDRSDQHIQLQLSAESVGEVYIKSTETGQYLAMDTDGLLYGSQTPNEECLFLERLEENHYNTYISKKHAEKNWFVGLKKNGSCKRGPRTHYGQKAILFLPLPVS input PDB |
| Selected Chain(s) | A,C,B,E,D,F |
| 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 (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:15:48)
[INFO] Main: Simulation completed successfully. (00:15:58)
|
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 | |
| 9 | K | A | -2.6865 | |
| 10 | K | A | -2.8156 | |
| 11 | P | A | 0.0000 | |
| 12 | K | A | -1.2762 | |
| 13 | L | A | 0.0000 | |
| 14 | L | A | 0.0000 | |
| 15 | Y | A | -0.0101 | |
| 16 | C | A | 0.0000 | |
| 17 | S | A | -0.4901 | |
| 18 | N | A | 0.0000 | |
| 19 | G | A | -1.8922 | |
| 20 | G | A | -0.9722 | |
| 21 | H | A | 0.0000 | |
| 22 | F | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | R | A | -0.8295 | |
| 25 | I | A | 0.0000 | |
| 26 | L | A | -0.8812 | |
| 27 | P | A | -1.3539 | |
| 28 | D | A | -1.8121 | |
| 29 | G | A | -1.0517 | |
| 30 | T | A | -0.5272 | |
| 31 | V | A | 0.0000 | |
| 32 | D | A | -0.5786 | |
| 33 | G | A | -1.3357 | |
| 34 | T | A | -2.1338 | |
| 35 | R | A | -3.2297 | |
| 36 | D | A | -3.6925 | |
| 37 | R | A | -3.4935 | |
| 38 | S | A | -2.4017 | |
| 39 | D | A | -2.5079 | |
| 40 | Q | A | -2.4433 | |
| 41 | H | A | -1.9246 | |
| 42 | I | A | 0.0000 | |
| 43 | Q | A | -1.9265 | |
| 44 | L | A | 0.0000 | |
| 45 | Q | A | -1.8954 | |
| 46 | L | A | -1.2843 | |
| 47 | S | A | -1.1844 | |
| 48 | A | A | -0.8930 | |
| 49 | E | A | -1.5573 | |
| 50 | S | A | -0.2979 | |
| 51 | V | A | 1.1360 | |
| 52 | G | A | -0.0726 | |
| 53 | E | A | -0.6350 | |
| 54 | V | A | 0.0000 | |
| 55 | Y | A | -0.5162 | |
| 56 | I | A | 0.0000 | |
| 57 | K | A | -1.1040 | |
| 58 | S | A | 0.0000 | |
| 59 | T | A | -1.6362 | |
| 60 | E | A | -2.4671 | |
| 61 | T | A | -1.7281 | |
| 62 | G | A | -1.3575 | |
| 63 | Q | A | 0.0000 | |
| 64 | Y | A | -0.6050 | |
| 65 | L | A | 0.0000 | |
| 66 | A | A | 0.0000 | |
| 67 | M | A | 0.0000 | |
| 68 | D | A | -1.2555 | |
| 69 | T | A | -1.2643 | |
| 70 | D | A | -2.0433 | |
| 71 | G | A | 0.0000 | |
| 72 | L | A | -0.5895 | |
| 73 | L | A | 0.0000 | |
| 74 | Y | A | -0.0559 | |
| 75 | G | A | 0.0000 | |
| 76 | S | A | -0.9905 | |
| 77 | Q | A | -1.4184 | |
| 78 | T | A | -1.2110 | |
| 79 | P | A | -1.1647 | |
| 80 | N | A | -1.7082 | |
| 81 | E | A | -2.6456 | |
| 82 | E | A | -1.9117 | |
| 83 | C | A | 0.0000 | |
| 84 | L | A | -1.2707 | |
| 85 | F | A | 0.0000 | |
| 86 | L | A | -0.5529 | |
| 87 | E | A | -0.6239 | |
| 88 | R | A | -0.9171 | |
| 89 | L | A | -0.1229 | |
| 90 | E | A | -1.1883 | |
| 91 | E | A | -2.6196 | |
| 92 | N | A | -2.3912 | |
| 93 | H | A | -1.7625 | |
| 94 | Y | A | -0.7920 | |
| 95 | N | A | -0.3640 | |
| 96 | T | A | 0.0000 | |
| 97 | Y | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | S | A | 0.0000 | |
| 100 | K | A | -2.0390 | |
| 101 | K | A | -2.4003 | |
| 102 | H | A | 0.0000 | |
| 103 | A | A | -1.9935 | |
| 104 | E | A | -2.9144 | |
| 105 | K | A | -2.8701 | |
| 106 | N | A | -1.9995 | |
| 107 | W | A | -1.6106 | |
| 108 | F | A | 0.0000 | |
| 109 | V | A | 0.0000 | |
| 110 | G | A | 0.0000 | |
| 111 | L | A | 0.0000 | |
| 112 | K | A | -2.6758 | |
| 113 | K | A | -3.1088 | |
| 114 | N | A | -2.5197 | |
| 115 | G | A | 0.0000 | |
| 116 | S | A | -1.3805 | |
| 117 | C | A | -1.0615 | |
| 118 | K | A | -1.9366 | |
| 119 | R | A | -2.3131 | |
| 120 | G | A | 0.0000 | |
| 121 | P | A | -2.1708 | |
| 122 | R | A | -2.6540 | |
| 123 | T | A | 0.0000 | |
| 124 | H | A | -1.4527 | |
| 125 | Y | A | 0.2086 | |
| 126 | G | A | -0.8814 | |
| 127 | Q | A | -1.2987 | |
| 128 | K | A | -2.2329 | |
| 129 | A | A | 0.0000 | |
| 130 | I | A | 0.0000 | |
| 131 | L | A | -0.3749 | |
| 132 | F | A | 0.0000 | |
| 133 | L | A | 0.5919 | |
| 134 | P | A | 0.3770 | |
| 135 | L | A | 0.3484 | |
| 136 | P | A | -0.3111 | |
| 137 | V | A | -0.3233 | |
| 138 | S | A | -0.2874 | |
| 11 | P | B | -0.6472 | |
| 12 | K | B | -0.4637 | |
| 13 | L | B | 0.0000 | |
| 14 | L | B | 0.0000 | |
| 15 | Y | B | 0.2059 | |
| 16 | C | B | 0.0000 | |
| 17 | S | B | -0.4968 | |
| 18 | N | B | 0.0000 | |
| 19 | G | B | -1.8754 | |
| 20 | G | B | -1.0960 | |
| 21 | H | B | 0.0000 | |
| 22 | F | B | 0.0000 | |
| 23 | L | B | 0.0000 | |
| 24 | R | B | -0.8022 | |
| 25 | I | B | 0.0000 | |
| 26 | L | B | -0.8723 | |
| 27 | P | B | -1.3242 | |
| 28 | D | B | -1.8416 | |
| 29 | G | B | -1.0605 | |
| 30 | T | B | -0.4849 | |
| 31 | V | B | 0.0000 | |
| 32 | D | B | -0.4170 | |
| 33 | G | B | -1.3423 | |
| 34 | T | B | -2.0283 | |
| 35 | R | B | -3.1680 | |
| 36 | D | B | -3.5710 | |
| 37 | R | B | -2.8818 | |
| 38 | S | B | -1.9438 | |
| 39 | D | B | -2.4278 | |
| 40 | Q | B | -2.3754 | |
| 41 | H | B | -1.8260 | |
| 42 | I | B | 0.0000 | |
| 43 | Q | B | -1.4785 | |
| 44 | L | B | 0.0000 | |
| 45 | Q | B | -1.5405 | |
| 46 | L | B | -0.6099 | |
| 47 | S | B | -0.7004 | |
| 48 | A | B | -0.6461 | |
| 49 | E | B | -1.4785 | |
| 50 | S | B | -0.1878 | |
| 51 | V | B | 1.2137 | |
| 52 | G | B | 0.0009 | |
| 53 | E | B | -0.6771 | |
| 54 | V | B | 0.0000 | |
| 55 | Y | B | -0.5329 | |
| 56 | I | B | 0.0000 | |
| 57 | K | B | -1.1464 | |
| 58 | S | B | 0.0000 | |
| 59 | T | B | -1.7140 | |
| 60 | E | B | -2.4374 | |
| 61 | T | B | -1.6179 | |
| 62 | G | B | -1.2201 | |
| 63 | Q | B | 0.0000 | |
| 64 | Y | B | -0.5433 | |
| 65 | L | B | 0.0000 | |
| 66 | A | B | 0.0000 | |
| 67 | M | B | 0.0000 | |
| 68 | D | B | -0.8242 | |
| 69 | T | B | -0.8070 | |
| 70 | D | B | -1.0480 | |
| 71 | G | B | 0.0000 | |
| 72 | L | B | 0.4578 | |
| 73 | L | B | 0.0000 | |
| 74 | Y | B | 0.0743 | |
| 75 | G | B | 0.0000 | |
| 76 | S | B | 0.0000 | |
| 77 | Q | B | -1.3548 | |
| 78 | T | B | -1.1161 | |
| 79 | P | B | -1.0995 | |
| 80 | N | B | -1.6287 | |
| 81 | E | B | -2.7125 | |
| 82 | E | B | -1.8924 | |
| 83 | C | B | 0.0000 | |
| 84 | L | B | -1.4154 | |
| 85 | F | B | 0.0000 | |
| 86 | L | B | -0.7783 | |
| 87 | E | B | -0.6470 | |
| 88 | R | B | -1.0252 | |
| 89 | L | B | -0.1333 | |
| 90 | E | B | -1.3322 | |
| 91 | E | B | -2.7174 | |
| 92 | N | B | -2.4754 | |
| 93 | H | B | -1.9089 | |
| 94 | Y | B | -0.8942 | |
| 95 | N | B | -0.3988 | |
| 96 | T | B | 0.0000 | |
| 97 | Y | B | 0.0000 | |
| 98 | I | B | 0.0000 | |
| 99 | S | B | 0.0000 | |
| 100 | K | B | -2.3360 | |
| 101 | K | B | -2.7847 | |
| 102 | H | B | 0.0000 | |
| 103 | A | B | -2.0538 | |
| 104 | E | B | -2.7983 | |
| 105 | K | B | -2.4906 | |
| 106 | N | B | -1.8723 | |
| 107 | W | B | -1.4160 | |
| 108 | F | B | 0.0000 | |
| 109 | V | B | 0.0000 | |
| 110 | G | B | 0.0000 | |
| 111 | L | B | 0.0000 | |
| 112 | K | B | -2.9041 | |
| 113 | K | B | -3.1422 | |
| 114 | N | B | -2.5182 | |
| 115 | G | B | 0.0000 | |
| 116 | S | B | -1.2819 | |
| 117 | C | B | -0.8482 | |
| 118 | K | B | -1.6523 | |
| 119 | R | B | -1.6035 | |
| 120 | G | B | 0.0000 | |
| 121 | P | B | -1.7526 | |
| 122 | R | B | -2.6627 | |
| 123 | T | B | 0.0000 | |
| 124 | H | B | -1.4160 | |
| 125 | Y | B | 0.1905 | |
| 126 | G | B | -0.8953 | |
| 127 | Q | B | -1.4594 | |
| 128 | K | B | -2.2552 | |
| 129 | A | B | 0.0000 | |
| 130 | I | B | 0.0000 | |
| 131 | L | B | 0.0000 | |
| 132 | F | B | 0.0000 | |
| 133 | L | B | 0.7868 | |
| 134 | P | B | 0.5345 | |
| 135 | L | B | 0.6272 | |
| 136 | P | B | 0.5149 | |
| 137 | V | B | 1.2270 | |
| 10 | K | C | -1.7842 | |
| 11 | P | C | -1.2053 | |
| 12 | K | C | -0.6320 | |
| 13 | L | C | 0.0000 | |
| 14 | L | C | 0.0000 | |
| 15 | Y | C | -0.0229 | |
| 16 | C | C | 0.0000 | |
| 17 | S | C | -0.6192 | |
| 18 | N | C | 0.0000 | |
| 19 | G | C | -1.7825 | |
| 20 | G | C | -1.0240 | |
| 21 | H | C | 0.0000 | |
| 22 | F | C | 0.0000 | |
| 23 | L | C | 0.0000 | |
| 24 | R | C | -0.8482 | |
| 25 | I | C | 0.0000 | |
| 26 | L | C | -0.9261 | |
| 27 | P | C | -1.3465 | |
| 28 | D | C | -1.8336 | |
| 29 | G | C | -1.0073 | |
| 30 | T | C | -0.5237 | |
| 31 | V | C | 0.0000 | |
| 32 | D | C | -0.6211 | |
| 33 | G | C | -1.3462 | |
| 34 | T | C | 0.0000 | |
| 35 | R | C | -3.3442 | |
| 36 | D | C | -3.9032 | |
| 37 | R | C | -3.4508 | |
| 38 | S | C | -2.4739 | |
| 39 | D | C | -2.5485 | |
| 40 | Q | C | -2.4608 | |
| 41 | H | C | -1.7425 | |
| 42 | I | C | 0.0000 | |
| 43 | Q | C | -1.8017 | |
| 44 | L | C | 0.0000 | |
| 45 | Q | C | -1.3908 | |
| 46 | L | C | -0.7125 | |
| 47 | S | C | -0.6162 | |
| 48 | A | C | -0.7507 | |
| 49 | E | C | -1.5154 | |
| 50 | S | C | -0.3056 | |
| 51 | V | C | 1.1503 | |
| 52 | G | C | -0.2116 | |
| 53 | E | C | -0.8211 | |
| 54 | V | C | 0.0000 | |
| 55 | Y | C | -0.3993 | |
| 56 | I | C | 0.0000 | |
| 57 | K | C | -1.0561 | |
| 58 | S | C | 0.0000 | |
| 59 | T | C | -1.5738 | |
| 60 | E | C | -2.1964 | |
| 61 | T | C | -1.5632 | |
| 62 | G | C | -1.1801 | |
| 63 | Q | C | 0.0000 | |
| 64 | Y | C | -0.4811 | |
| 65 | L | C | 0.0000 | |
| 66 | A | C | 0.0000 | |
| 67 | M | C | 0.0000 | |
| 68 | D | C | -1.2800 | |
| 69 | T | C | -1.2623 | |
| 70 | D | C | -1.9409 | |
| 71 | G | C | 0.0000 | |
| 72 | L | C | -0.4001 | |
| 73 | L | C | 0.0000 | |
| 74 | Y | C | 0.0195 | |
| 75 | G | C | 0.0000 | |
| 76 | S | C | 0.0000 | |
| 77 | Q | C | -1.3188 | |
| 78 | T | C | -1.0702 | |
| 79 | P | C | -0.9857 | |
| 80 | N | C | -1.4873 | |
| 81 | E | C | -2.6268 | |
| 82 | E | C | -1.8084 | |
| 83 | C | C | 0.0000 | |
| 84 | L | C | -1.2216 | |
| 85 | F | C | 0.0000 | |
| 86 | L | C | -0.8262 | |
| 87 | E | C | -0.8931 | |
| 88 | R | C | -1.5623 | |
| 89 | L | C | -0.7192 | |
| 90 | E | C | -1.9672 | |
| 91 | E | C | -2.9336 | |
| 92 | N | C | -2.4724 | |
| 93 | H | C | -1.8386 | |
| 94 | Y | C | -1.1494 | |
| 95 | N | C | -0.8417 | |
| 96 | T | C | 0.0000 | |
| 97 | Y | C | 0.0000 | |
| 98 | I | C | -0.9124 | |
| 99 | S | C | 0.0000 | |
| 100 | K | C | -2.3474 | |
| 101 | K | C | -2.7944 | |
| 102 | H | C | 0.0000 | |
| 103 | A | C | -2.1642 | |
| 104 | E | C | -3.0567 | |
| 105 | K | C | -3.0862 | |
| 106 | N | C | -1.9200 | |
| 107 | W | C | -1.7915 | |
| 108 | F | C | 0.0000 | |
| 109 | V | C | 0.0000 | |
| 110 | G | C | 0.0000 | |
| 111 | L | C | 0.0000 | |
| 112 | K | C | -2.6363 | |
| 113 | K | C | -3.0977 | |
| 114 | N | C | -2.5397 | |
| 115 | G | C | -1.9241 | |
| 116 | S | C | -1.3526 | |
| 117 | C | C | -1.0121 | |
| 118 | K | C | -1.7494 | |
| 119 | R | C | -1.8516 | |
| 120 | G | C | 0.0000 | |
| 121 | P | C | -2.0952 | |
| 122 | R | C | -2.4965 | |
| 123 | T | C | 0.0000 | |
| 124 | H | C | -1.4669 | |
| 125 | Y | C | 0.1711 | |
| 126 | G | C | -0.9660 | |
| 127 | Q | C | -1.2566 | |
| 128 | K | C | -2.2689 | |
| 129 | A | C | 0.0000 | |
| 130 | I | C | 0.0000 | |
| 131 | L | C | 0.0000 | |
| 132 | F | C | 0.0000 | |
| 133 | L | C | 0.3151 | |
| 134 | P | C | 0.3175 | |
| 135 | L | C | 0.6679 | |
| 136 | P | C | 0.2910 | |
| 137 | V | C | 0.9981 | |
| 11 | P | D | -0.5810 | |
| 12 | K | D | -0.4980 | |
| 13 | L | D | 0.0000 | |
| 14 | L | D | 0.0000 | |
| 15 | Y | D | 0.0212 | |
| 16 | C | D | 0.0000 | |
| 17 | S | D | -0.5011 | |
| 18 | N | D | 0.0000 | |
| 19 | G | D | -1.8016 | |
| 20 | G | D | -0.9973 | |
| 21 | H | D | 0.0000 | |
| 22 | F | D | 0.0000 | |
| 23 | L | D | 0.0000 | |
| 24 | R | D | -0.8522 | |
| 25 | I | D | 0.0000 | |
| 26 | L | D | -0.9443 | |
| 27 | P | D | -1.4352 | |
| 28 | D | D | -1.8110 | |
| 29 | G | D | -1.0143 | |
| 30 | T | D | -0.5274 | |
| 31 | V | D | 0.0000 | |
| 32 | D | D | -0.5660 | |
| 33 | G | D | -1.3020 | |
| 34 | T | D | 0.0000 | |
| 35 | R | D | -2.9564 | |
| 36 | D | D | -3.1696 | |
| 37 | R | D | -2.5796 | |
| 38 | S | D | -2.0694 | |
| 39 | D | D | -2.1876 | |
| 40 | Q | D | -2.3735 | |
| 41 | H | D | -1.8573 | |
| 42 | I | D | 0.0000 | |
| 43 | Q | D | -1.6199 | |
| 44 | L | D | 0.0000 | |
| 45 | Q | D | -1.3913 | |
| 46 | L | D | -0.6247 | |
| 47 | S | D | -0.7109 | |
| 48 | A | D | -0.6347 | |
| 49 | E | D | -1.5015 | |
| 50 | S | D | -0.2390 | |
| 51 | V | D | 1.2194 | |
| 52 | G | D | 0.0732 | |
| 53 | E | D | -0.5875 | |
| 54 | V | D | 0.0000 | |
| 55 | Y | D | 0.0000 | |
| 56 | I | D | 0.0000 | |
| 57 | K | D | -1.0137 | |
| 58 | S | D | 0.0000 | |
| 59 | T | D | -1.6599 | |
| 60 | E | D | -2.4506 | |
| 61 | T | D | -1.6149 | |
| 62 | G | D | -1.1593 | |
| 63 | Q | D | 0.0000 | |
| 64 | Y | D | -0.5144 | |
| 65 | L | D | 0.0000 | |
| 66 | A | D | 0.0000 | |
| 67 | M | D | 0.0000 | |
| 68 | D | D | -1.2557 | |
| 69 | T | D | -1.2374 | |
| 70 | D | D | -1.9211 | |
| 71 | G | D | 0.0000 | |
| 72 | L | D | -0.4467 | |
| 73 | L | D | 0.0000 | |
| 74 | Y | D | -0.0358 | |
| 75 | G | D | 0.0000 | |
| 76 | S | D | 0.0000 | |
| 77 | Q | D | -1.3706 | |
| 78 | T | D | -1.1708 | |
| 79 | P | D | -1.1904 | |
| 80 | N | D | -1.8261 | |
| 81 | E | D | -2.6695 | |
| 82 | E | D | -1.8672 | |
| 83 | C | D | 0.0000 | |
| 84 | L | D | -1.2229 | |
| 85 | F | D | 0.0000 | |
| 86 | L | D | -0.5869 | |
| 87 | E | D | -0.4648 | |
| 88 | R | D | -0.8613 | |
| 89 | L | D | -0.2049 | |
| 90 | E | D | -1.0692 | |
| 91 | E | D | -2.1604 | |
| 92 | N | D | -2.0925 | |
| 93 | H | D | -1.5920 | |
| 94 | Y | D | -0.8487 | |
| 95 | N | D | 0.0000 | |
| 96 | T | D | 0.0000 | |
| 97 | Y | D | 0.0000 | |
| 98 | I | D | -0.6425 | |
| 99 | S | D | 0.0000 | |
| 100 | K | D | -2.0172 | |
| 101 | K | D | -2.2333 | |
| 102 | H | D | 0.0000 | |
| 103 | A | D | -1.8707 | |
| 104 | E | D | -2.6998 | |
| 105 | K | D | -2.4173 | |
| 106 | N | D | -1.6115 | |
| 107 | W | D | -1.5078 | |
| 108 | F | D | 0.0000 | |
| 109 | V | D | 0.0000 | |
| 110 | G | D | 0.0000 | |
| 111 | L | D | 0.0000 | |
| 112 | K | D | -2.4893 | |
| 113 | K | D | -3.0279 | |
| 114 | N | D | -2.4849 | |
| 115 | G | D | 0.0000 | |
| 116 | S | D | -1.2777 | |
| 117 | C | D | -0.8865 | |
| 118 | K | D | -1.6163 | |
| 119 | R | D | -1.7501 | |
| 120 | G | D | 0.0000 | |
| 121 | P | D | -1.8963 | |
| 122 | R | D | -2.4717 | |
| 123 | T | D | 0.0000 | |
| 124 | H | D | -1.3399 | |
| 125 | Y | D | 0.2382 | |
| 126 | G | D | -0.6883 | |
| 127 | Q | D | -1.4125 | |
| 128 | K | D | -2.1533 | |
| 129 | A | D | 0.0000 | |
| 130 | I | D | 0.0000 | |
| 131 | L | D | -0.6080 | |
| 132 | F | D | 0.0000 | |
| 133 | L | D | 0.1436 | |
| 134 | P | D | 0.1722 | |
| 135 | L | D | 0.5267 | |
| 136 | P | D | 0.5046 | |
| 137 | V | D | 1.2474 | |
| 10 | K | E | -1.8142 | |
| 11 | P | E | -1.1750 | |
| 12 | K | E | -0.7301 | |
| 13 | L | E | 0.0000 | |
| 14 | L | E | 0.0000 | |
| 15 | Y | E | 0.0151 | |
| 16 | C | E | 0.0000 | |
| 17 | S | E | -0.4923 | |
| 18 | N | E | 0.0000 | |
| 19 | G | E | -1.6984 | |
| 20 | G | E | -0.8683 | |
| 21 | H | E | 0.0000 | |
| 22 | F | E | 0.0000 | |
| 23 | L | E | 0.0000 | |
| 24 | R | E | -0.8036 | |
| 25 | I | E | 0.0000 | |
| 26 | L | E | -0.8595 | |
| 27 | P | E | -1.3101 | |
| 28 | D | E | -1.8136 | |
| 29 | G | E | -1.0366 | |
| 30 | T | E | -0.5854 | |
| 31 | V | E | 0.0000 | |
| 32 | D | E | -0.5840 | |
| 33 | G | E | -1.1175 | |
| 34 | T | E | -2.1261 | |
| 35 | R | E | -3.1491 | |
| 36 | D | E | -3.5116 | |
| 37 | R | E | -3.2898 | |
| 38 | S | E | -2.3594 | |
| 39 | D | E | -2.4235 | |
| 40 | Q | E | -2.3996 | |
| 41 | H | E | -1.7179 | |
| 42 | I | E | 0.0000 | |
| 43 | Q | E | -1.7407 | |
| 44 | L | E | 0.0000 | |
| 45 | Q | E | -1.3891 | |
| 46 | L | E | -0.5921 | |
| 47 | S | E | -0.5978 | |
| 48 | A | E | -0.5730 | |
| 49 | E | E | -1.5076 | |
| 50 | S | E | -0.2227 | |
| 51 | V | E | 1.1504 | |
| 52 | G | E | -0.1208 | |
| 53 | E | E | -0.6602 | |
| 54 | V | E | 0.0000 | |
| 55 | Y | E | -0.4402 | |
| 56 | I | E | 0.0000 | |
| 57 | K | E | -0.9463 | |
| 58 | S | E | 0.0000 | |
| 59 | T | E | -1.5146 | |
| 60 | E | E | -2.3127 | |
| 61 | T | E | -1.6109 | |
| 62 | G | E | -1.2022 | |
| 63 | Q | E | 0.0000 | |
| 64 | Y | E | -0.4882 | |
| 65 | L | E | 0.0000 | |
| 66 | A | E | 0.0000 | |
| 67 | M | E | 0.0000 | |
| 68 | D | E | -1.1503 | |
| 69 | T | E | -1.2857 | |
| 70 | D | E | -1.9209 | |
| 71 | G | E | 0.0000 | |
| 72 | L | E | -0.3502 | |
| 73 | L | E | 0.0000 | |
| 74 | Y | E | -0.0344 | |
| 75 | G | E | 0.0000 | |
| 76 | S | E | 0.0000 | |
| 77 | Q | E | -1.3524 | |
| 78 | T | E | -1.1647 | |
| 79 | P | E | -1.1647 | |
| 80 | N | E | -1.8025 | |
| 81 | E | E | -2.8046 | |
| 82 | E | E | -2.1543 | |
| 83 | C | E | 0.0000 | |
| 84 | L | E | -1.4695 | |
| 85 | F | E | 0.0000 | |
| 86 | L | E | -0.6229 | |
| 87 | E | E | -0.8230 | |
| 88 | R | E | -1.1608 | |
| 89 | L | E | -0.5227 | |
| 90 | E | E | -1.6779 | |
| 91 | E | E | -2.7106 | |
| 92 | N | E | -2.3651 | |
| 93 | H | E | -1.7670 | |
| 94 | Y | E | -0.9931 | |
| 95 | N | E | -0.7948 | |
| 96 | T | E | 0.0000 | |
| 97 | Y | E | 0.0000 | |
| 98 | I | E | -0.8774 | |
| 99 | S | E | 0.0000 | |
| 100 | K | E | -2.3890 | |
| 101 | K | E | -2.7498 | |
| 102 | H | E | 0.0000 | |
| 103 | A | E | -2.1385 | |
| 104 | E | E | -3.0458 | |
| 105 | K | E | -3.0567 | |
| 106 | N | E | -1.9398 | |
| 107 | W | E | -1.7619 | |
| 108 | F | E | 0.0000 | |
| 109 | V | E | 0.0000 | |
| 110 | G | E | 0.0000 | |
| 111 | L | E | 0.0000 | |
| 112 | K | E | -2.4970 | |
| 113 | K | E | -3.0101 | |
| 114 | N | E | -2.4839 | |
| 115 | G | E | -1.9021 | |
| 116 | S | E | -1.2603 | |
| 117 | C | E | -0.9159 | |
| 118 | K | E | -1.6701 | |
| 119 | R | E | -1.8844 | |
| 120 | G | E | 0.0000 | |
| 121 | P | E | -2.0502 | |
| 122 | R | E | -2.4911 | |
| 123 | T | E | 0.0000 | |
| 124 | H | E | -1.4216 | |
| 125 | Y | E | 0.1944 | |
| 126 | G | E | -0.7544 | |
| 127 | Q | E | -1.2788 | |
| 128 | K | E | -2.2170 | |
| 129 | A | E | 0.0000 | |
| 130 | I | E | 0.0000 | |
| 131 | L | E | -0.5326 | |
| 132 | F | E | 0.0000 | |
| 133 | L | E | 0.1641 | |
| 134 | P | E | 0.2799 | |
| 135 | L | E | 0.5718 | |
| 136 | P | E | 0.1388 | |
| 137 | V | E | 0.8865 | |
| 138 | S | E | -0.0798 | |
| 10 | K | F | -1.9273 | |
| 11 | P | F | -1.4002 | |
| 12 | K | F | -1.0622 | |
| 13 | L | F | 0.0000 | |
| 14 | L | F | 0.0000 | |
| 15 | Y | F | 0.0794 | |
| 16 | C | F | 0.0000 | |
| 17 | S | F | -0.4617 | |
| 18 | N | F | 0.0000 | |
| 19 | G | F | -1.7284 | |
| 20 | G | F | -0.7291 | |
| 21 | H | F | 0.0000 | |
| 22 | F | F | 0.0000 | |
| 23 | L | F | 0.0000 | |
| 24 | R | F | -0.8370 | |
| 25 | I | F | 0.0000 | |
| 26 | L | F | -0.9853 | |
| 27 | P | F | -1.6355 | |
| 28 | D | F | -1.8571 | |
| 29 | G | F | -1.1094 | |
| 30 | T | F | -0.5203 | |
| 31 | V | F | 0.0000 | |
| 32 | D | F | -0.6677 | |
| 33 | G | F | -1.3735 | |
| 34 | T | F | -2.0751 | |
| 35 | R | F | -3.1612 | |
| 36 | D | F | -3.4705 | |
| 37 | R | F | -3.4491 | |
| 38 | S | F | -2.3328 | |
| 39 | D | F | -2.4085 | |
| 40 | Q | F | -2.4033 | |
| 41 | H | F | -1.7569 | |
| 42 | I | F | 0.0000 | |
| 43 | Q | F | -1.6647 | |
| 44 | L | F | 0.0000 | |
| 45 | Q | F | -1.0968 | |
| 46 | L | F | -0.7418 | |
| 47 | S | F | -0.8261 | |
| 48 | A | F | -0.5919 | |
| 49 | E | F | -1.5265 | |
| 50 | S | F | -0.2292 | |
| 51 | V | F | 1.1990 | |
| 52 | G | F | -0.0399 | |
| 53 | E | F | -0.6123 | |
| 54 | V | F | 0.0000 | |
| 55 | Y | F | -0.4725 | |
| 56 | I | F | 0.0000 | |
| 57 | K | F | -0.9849 | |
| 58 | S | F | 0.0000 | |
| 59 | T | F | -1.4523 | |
| 60 | E | F | -2.3309 | |
| 61 | T | F | -1.6547 | |
| 62 | G | F | -1.1274 | |
| 63 | Q | F | 0.0000 | |
| 64 | Y | F | -0.4606 | |
| 65 | L | F | 0.0000 | |
| 66 | A | F | 0.0000 | |
| 67 | M | F | 0.0000 | |
| 68 | D | F | -1.1701 | |
| 69 | T | F | -1.2285 | |
| 70 | D | F | -1.9144 | |
| 71 | G | F | 0.0000 | |
| 72 | L | F | -0.2457 | |
| 73 | L | F | 0.0000 | |
| 74 | Y | F | 0.0217 | |
| 75 | G | F | -0.6350 | |
| 76 | S | F | -0.9525 | |
| 77 | Q | F | -1.3729 | |
| 78 | T | F | -1.0989 | |
| 79 | P | F | -1.0420 | |
| 80 | N | F | -1.5029 | |
| 81 | E | F | -2.5983 | |
| 82 | E | F | -1.8222 | |
| 83 | C | F | 0.0000 | |
| 84 | L | F | -1.2746 | |
| 85 | F | F | 0.0000 | |
| 86 | L | F | -0.5560 | |
| 87 | E | F | -0.6415 | |
| 88 | R | F | -0.9006 | |
| 89 | L | F | -0.2458 | |
| 90 | E | F | 0.0000 | |
| 91 | E | F | -2.4915 | |
| 92 | N | F | -2.3761 | |
| 93 | H | F | -1.7616 | |
| 94 | Y | F | -0.6503 | |
| 95 | N | F | -0.4313 | |
| 96 | T | F | 0.0000 | |
| 97 | Y | F | 0.0000 | |
| 98 | I | F | -0.8964 | |
| 99 | S | F | 0.0000 | |
| 100 | K | F | -2.3898 | |
| 101 | K | F | -2.8461 | |
| 102 | H | F | 0.0000 | |
| 103 | A | F | -2.2190 | |
| 104 | E | F | -3.0197 | |
| 105 | K | F | -2.9097 | |
| 106 | N | F | -2.1493 | |
| 107 | W | F | 0.0000 | |
| 108 | F | F | 0.0000 | |
| 109 | V | F | 0.0000 | |
| 110 | G | F | 0.0000 | |
| 111 | L | F | 0.0000 | |
| 112 | K | F | -3.3531 | |
| 113 | K | F | -3.3292 | |
| 114 | N | F | -2.6927 | |
| 115 | G | F | -2.1590 | |
| 116 | S | F | -1.5770 | |
| 117 | C | F | -1.0959 | |
| 118 | K | F | -1.9330 | |
| 119 | R | F | -2.0211 | |
| 120 | G | F | 0.0000 | |
| 121 | P | F | -2.1165 | |
| 122 | R | F | -2.7396 | |
| 123 | T | F | 0.0000 | |
| 124 | H | F | -1.3665 | |
| 125 | Y | F | 0.3095 | |
| 126 | G | F | -0.7457 | |
| 127 | Q | F | -1.2641 | |
| 128 | K | F | -2.2426 | |
| 129 | A | F | 0.0000 | |
| 130 | I | F | 0.0000 | |
| 131 | L | F | 0.0000 | |
| 132 | F | F | 0.0000 | |
| 133 | L | F | 0.4179 | |
| 134 | P | F | 0.2431 | |
| 135 | L | F | 0.1982 | |
| 136 | P | F | -0.4836 | |
| 137 | V | F | -0.5688 | |
| 138 | S | F | -0.1771 |
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