| Chain sequence(s) |
A: EIVLTQSPATLSLSPGERATLSCRASKGVSTSGYSYLHWYQQKPGQAPRLLIYLASYLESGVPARFSGSGSGTDFTLTISSLEPEDFAVYYCQHSRDLPLTFGGGTKVEIK
C: SWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDSRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTE B: QVQLVQSGVEVKKPGASVKVSCKASGYTFTNYYMYWVRQAPGQGLEWMGGINPSNGGTNFNEKFKNRVTLTTDSSTTTAYMELKSLQFDDTAVYYCARRDYRFDMGFDYWGQGTTVTVSS E: QVQLVQSGVEVKKPGASVKVSCKASYTFTNYYMYWVRQAPGQGLEWMGGINPSNGGTNFNEKFKNRVTLTTDSSTTTAYMELKSLQFDDTAVYYCARRDYRFDMGFDYWGQGTTVTVSS D: EIVLTQSPATLSLSPGERATLSCRASKGVSTSGYSYLHWYQQKPGQAPRLLIYLASYLESGVPARFSGSGSGTDFTLTISSLEPEDFAVYYCQHSRDLPLTFGGGTKVEIK G: EIVLTQSPATLSLSPGERATLSCRASKGVSTSGYSYLHWYQQKPGQAPRLLIYLASYLESGVPARFSGSGSGTDFTLTISSLEPEDFAVYYCQHSRDLPLTFGGGTKVEIK F: SWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDSRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTE I: SWNPPTFSPALLVVTEGDNATFTCSFSNSFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDSRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTE H: QVQLVQSGVEVKKPGASVKVSCKASGYTFTNYYMYWVRQAPGQGLEWMGGINPSNGGTNFNEKFKNRVTLTTDSSTTTAYMELKSLQFDDTAVYYCARRDYRFDMGFDYWGQGTTVTVSS K: QVQLVQSGVEVKKPGASVKVSCKASGYTFTNYYMYWVRQAPGQGLEWMGGINPSNGGTNFNEKFKNRVTLTTDSSTTTAYMELKSLQFDDTAVYYCARRDYRFDMGFDYWGQGTTVTVSS J: EIVLTQSPATLSLSPGERATLSCRASKGVSTSGYSYLHWYQQKPGQAPRLLIYLASYLESGVPARFSGSGSGTDFTLTISSLEPEDFAVYYCQHSRDLPLTFGGGTKVEIK L: SWNPPTFSPALLVVTEGDNATFTCSFSNSFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDSRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTE input PDB |
| Selected Chain(s) | A,C,B,E,D,G,F,I,H,K,J,L |
| 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:06)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:26:29)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/65a77b9aecffcf4/tmp/folded.pdb (00:26:29)
[INFO] Main: Simulation completed successfully. (00:40:19)
|
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 | E | A | -1.6965 | |
| 2 | I | A | 0.0000 | |
| 3 | V | A | 0.5978 | |
| 4 | L | A | 0.0000 | |
| 5 | T | A | -0.6468 | |
| 6 | Q | A | -0.7077 | |
| 7 | S | A | -0.7327 | |
| 8 | P | A | -0.2999 | |
| 9 | A | A | -0.2888 | |
| 10 | T | A | -0.4197 | |
| 11 | L | A | -0.1357 | |
| 12 | S | A | -0.3885 | |
| 13 | L | A | -0.5173 | |
| 14 | S | A | -0.7743 | |
| 15 | P | A | -1.2918 | |
| 16 | G | A | -1.6443 | |
| 17 | E | A | -2.1004 | |
| 18 | R | A | -2.5496 | |
| 19 | A | A | 0.0000 | |
| 20 | T | A | -0.6205 | |
| 21 | L | A | 0.0000 | |
| 22 | S | A | -0.9281 | |
| 23 | C | A | 0.0000 | |
| 24 | R | A | -2.4347 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -1.2716 | |
| 27 | K | A | -2.2194 | |
| 28 | G | A | -1.7242 | |
| 29 | V | A | 0.0000 | |
| 30 | S | A | -0.7857 | |
| 31 | T | A | -0.6281 | |
| 32 | S | A | -0.7026 | |
| 33 | G | A | -1.0987 | |
| 34 | Y | A | 0.0000 | |
| 35 | S | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | L | A | 0.0000 | |
| 38 | H | A | 0.0000 | |
| 39 | W | A | 0.0000 | |
| 40 | Y | A | 0.0000 | |
| 41 | Q | A | 0.0000 | |
| 42 | Q | A | 0.0000 | |
| 43 | K | A | -1.4145 | |
| 44 | P | A | -1.0336 | |
| 45 | G | A | -1.3639 | |
| 46 | Q | A | -2.1352 | |
| 47 | A | A | -1.5193 | |
| 48 | P | A | 0.0000 | |
| 49 | R | A | -2.0548 | |
| 50 | L | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | I | A | 0.0000 | |
| 53 | Y | A | 0.0000 | |
| 54 | L | A | 0.0000 | |
| 55 | A | A | 0.0000 | |
| 56 | S | A | -0.2716 | |
| 57 | Y | A | -0.0912 | |
| 58 | L | A | -0.1816 | |
| 59 | E | A | -0.9306 | |
| 60 | S | A | -0.9154 | |
| 61 | G | A | -0.7296 | |
| 62 | V | A | 0.0000 | |
| 63 | P | A | -0.3467 | |
| 64 | A | A | -0.2483 | |
| 65 | R | A | -0.7010 | |
| 66 | F | A | 0.0000 | |
| 67 | S | A | -0.2792 | |
| 68 | G | A | 0.0000 | |
| 69 | S | A | -0.6670 | |
| 70 | G | A | -1.1555 | |
| 71 | S | A | -1.1561 | |
| 72 | G | A | -1.3537 | |
| 73 | T | A | -1.8964 | |
| 74 | D | A | -2.0182 | |
| 75 | F | A | 0.0000 | |
| 76 | T | A | -0.8003 | |
| 77 | L | A | 0.0000 | |
| 78 | T | A | -0.6193 | |
| 79 | I | A | 0.0000 | |
| 80 | S | A | -1.3044 | |
| 81 | S | A | -1.6060 | |
| 82 | L | A | 0.0000 | |
| 83 | E | A | -2.0939 | |
| 84 | P | A | -1.3740 | |
| 85 | E | A | -2.1886 | |
| 86 | D | A | 0.0000 | |
| 87 | F | A | -0.4292 | |
| 88 | A | A | 0.0000 | |
| 89 | V | A | -0.3335 | |
| 90 | Y | A | 0.0000 | |
| 91 | Y | A | 0.0000 | |
| 92 | C | A | 0.0000 | |
| 93 | Q | A | 0.0000 | |
| 94 | H | A | 0.0000 | |
| 95 | S | A | 0.0000 | |
| 96 | R | A | -1.7183 | |
| 97 | D | A | -1.5977 | |
| 98 | L | A | -0.9467 | |
| 99 | P | A | -1.1583 | |
| 100 | L | A | 0.0000 | |
| 101 | T | A | -0.1498 | |
| 102 | F | A | 0.0000 | |
| 103 | G | A | 0.0000 | |
| 104 | G | A | -0.6455 | |
| 105 | G | A | -0.5181 | |
| 106 | T | A | 0.0000 | |
| 107 | K | A | -0.6708 | |
| 108 | V | A | 0.0000 | |
| 109 | E | A | -0.4260 | |
| 110 | I | A | 0.6889 | |
| 111 | K | A | -0.9750 | |
| 1 | Q | B | -1.5421 | |
| 2 | V | B | -0.8298 | |
| 3 | Q | B | -0.9834 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 0.2055 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.2133 | |
| 8 | G | B | 0.5472 | |
| 9 | V | B | 1.7168 | |
| 10 | E | B | 0.8258 | |
| 11 | V | B | 1.3429 | |
| 12 | K | B | -0.3717 | |
| 13 | K | B | -1.7226 | |
| 14 | P | B | -1.6366 | |
| 15 | G | B | -1.4288 | |
| 16 | A | B | -1.2909 | |
| 17 | S | B | -1.8979 | |
| 18 | V | B | 0.0000 | |
| 19 | K | B | -2.2244 | |
| 20 | V | B | 0.0000 | |
| 21 | S | B | -0.5153 | |
| 22 | C | B | 0.0000 | |
| 23 | K | B | -0.6167 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -0.5935 | |
| 26 | G | B | -0.7041 | |
| 27 | Y | B | -0.2279 | |
| 28 | T | B | -0.0514 | |
| 29 | F | B | 0.0000 | |
| 30 | T | B | -0.4474 | |
| 31 | N | B | -0.4951 | |
| 32 | Y | B | -0.1298 | |
| 33 | Y | B | 0.0000 | |
| 34 | M | B | 0.0000 | |
| 35 | Y | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | -0.5760 | |
| 40 | A | B | -1.0311 | |
| 41 | P | B | -1.0696 | |
| 42 | G | B | -1.2484 | |
| 43 | Q | B | -1.7886 | |
| 44 | G | B | -1.2608 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -0.6677 | |
| 47 | W | B | 0.0000 | |
| 48 | M | B | 0.0000 | |
| 49 | G | B | 0.0000 | |
| 50 | G | B | 0.0000 | |
| 51 | I | B | 0.0000 | |
| 52 | N | B | 0.0000 | |
| 53 | P | B | 0.0000 | |
| 54 | S | B | -1.1027 | |
| 55 | N | B | -1.4533 | |
| 56 | G | B | -0.9742 | |
| 57 | G | B | -1.1137 | |
| 58 | T | B | -0.5481 | |
| 59 | N | B | -0.8604 | |
| 60 | F | B | -1.2757 | |
| 61 | N | B | -2.0289 | |
| 62 | E | B | -3.4711 | |
| 63 | K | B | -3.3385 | |
| 64 | F | B | 0.0000 | |
| 65 | K | B | -3.5609 | |
| 66 | N | B | -3.0251 | |
| 67 | R | B | -2.5518 | |
| 68 | V | B | 0.0000 | |
| 69 | T | B | -1.1744 | |
| 70 | L | B | 0.0000 | |
| 71 | T | B | -0.2473 | |
| 72 | T | B | -0.2972 | |
| 73 | D | B | -0.2669 | |
| 74 | S | B | -0.2388 | |
| 75 | S | B | 0.0000 | |
| 76 | T | B | -0.3420 | |
| 77 | T | B | -0.3827 | |
| 78 | T | B | 0.0000 | |
| 79 | A | B | 0.0000 | |
| 80 | Y | B | -0.4198 | |
| 81 | M | B | 0.0000 | |
| 82 | E | B | -1.8046 | |
| 83 | L | B | 0.0000 | |
| 84 | K | B | -2.5270 | |
| 85 | S | B | -1.6567 | |
| 86 | L | B | 0.0000 | |
| 87 | Q | B | -1.5155 | |
| 88 | F | B | 0.0831 | |
| 89 | D | B | -1.2574 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.1232 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | 0.4286 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.0000 | |
| 96 | C | B | 0.0000 | |
| 97 | A | B | 0.0000 | |
| 98 | R | B | 0.0000 | |
| 99 | R | B | 0.0000 | |
| 100 | D | B | -0.4362 | |
| 101 | Y | B | 0.0000 | |
| 102 | R | B | -0.3386 | |
| 103 | F | B | 0.0000 | |
| 104 | D | B | 0.0000 | |
| 105 | M | B | 0.0000 | |
| 106 | G | B | 0.0000 | |
| 107 | F | B | 0.0000 | |
| 108 | D | B | -0.7636 | |
| 109 | Y | B | -0.3454 | |
| 110 | W | B | 0.0000 | |
| 111 | G | B | 0.0000 | |
| 112 | Q | B | -1.2837 | |
| 113 | G | B | -0.4680 | |
| 114 | T | B | 0.0000 | |
| 115 | T | B | 0.7102 | |
| 116 | V | B | 0.0000 | |
| 117 | T | B | 0.3867 | |
| 118 | V | B | 0.0000 | |
| 119 | S | B | -0.3203 | |
| 120 | S | B | -0.6115 | |
| 31 | S | C | 0.0000 | |
| 32 | W | C | 0.0000 | |
| 33 | N | C | 0.0000 | |
| 34 | P | C | -0.3521 | |
| 35 | P | C | 0.0000 | |
| 36 | T | C | -0.2907 | |
| 37 | F | C | 0.0000 | |
| 38 | S | C | -0.2195 | |
| 39 | P | C | -0.2041 | |
| 40 | A | C | -0.3028 | |
| 41 | L | C | 0.0095 | |
| 42 | L | C | 0.6952 | |
| 43 | V | C | 0.8373 | |
| 44 | V | C | -0.9364 | |
| 45 | T | C | -2.1870 | |
| 46 | E | C | -3.5707 | |
| 47 | G | C | -3.2242 | |
| 48 | D | C | -3.4429 | |
| 49 | N | C | -2.9005 | |
| 50 | A | C | 0.0000 | |
| 51 | T | C | -0.6836 | |
| 52 | F | C | 0.0000 | |
| 53 | T | C | -0.3844 | |
| 54 | C | C | 0.0000 | |
| 55 | S | C | -0.4430 | |
| 56 | F | C | 0.0000 | |
| 57 | S | C | 0.0000 | |
| 58 | N | C | 0.0000 | |
| 59 | T | C | -0.5806 | |
| 60 | S | C | -0.9444 | |
| 61 | E | C | -1.6036 | |
| 62 | S | C | -0.8733 | |
| 63 | F | C | 0.0000 | |
| 64 | V | C | 0.0000 | |
| 65 | L | C | 0.0000 | |
| 66 | N | C | 0.0000 | |
| 67 | W | C | 0.0000 | |
| 68 | Y | C | 0.0000 | |
| 69 | R | C | -0.9367 | |
| 70 | M | C | -1.1075 | |
| 71 | S | C | -1.2176 | |
| 72 | P | C | -1.1029 | |
| 73 | S | C | -1.1904 | |
| 74 | N | C | -1.7875 | |
| 75 | Q | C | -1.3883 | |
| 76 | T | C | -0.9886 | |
| 77 | D | C | -1.0082 | |
| 78 | K | C | 0.0000 | |
| 79 | L | C | 0.0000 | |
| 80 | A | C | -1.3360 | |
| 81 | A | C | 0.0000 | |
| 82 | F | C | -0.7582 | |
| 83 | P | C | 0.0000 | |
| 84 | E | C | -2.6302 | |
| 85 | D | C | 0.0000 | |
| 86 | R | C | -2.8043 | |
| 87 | S | C | 0.0000 | |
| 88 | Q | C | 0.0000 | |
| 89 | P | C | 0.0000 | |
| 90 | G | C | -1.4073 | |
| 91 | Q | C | -1.9983 | |
| 92 | D | C | -2.0485 | |
| 93 | S | C | -1.9026 | |
| 94 | R | C | -1.6621 | |
| 95 | F | C | 0.0000 | |
| 96 | R | C | -2.1899 | |
| 97 | V | C | -1.2419 | |
| 98 | T | C | -1.1878 | |
| 99 | Q | C | -1.2830 | |
| 100 | L | C | -0.7908 | |
| 101 | P | C | -0.7474 | |
| 102 | N | C | -0.8299 | |
| 103 | G | C | -0.7344 | |
| 104 | R | C | -0.6959 | |
| 105 | D | C | -0.7523 | |
| 106 | F | C | 0.0000 | |
| 107 | H | C | -0.9523 | |
| 108 | M | C | 0.0000 | |
| 109 | S | C | -1.1415 | |
| 110 | V | C | 0.0000 | |
| 111 | V | C | -2.0834 | |
| 112 | R | C | -3.3319 | |
| 113 | A | C | 0.0000 | |
| 114 | R | C | -4.4355 | |
| 115 | R | C | -3.9206 | |
| 116 | N | C | -2.9720 | |
| 117 | D | C | 0.0000 | |
| 118 | S | C | 0.0000 | |
| 119 | G | C | 0.0000 | |
| 120 | T | C | 0.0000 | |
| 121 | Y | C | 0.0000 | |
| 122 | L | C | 0.0000 | |
| 123 | C | C | 0.0000 | |
| 124 | G | C | 0.0000 | |
| 125 | A | C | 0.0000 | |
| 126 | I | C | 0.0000 | |
| 127 | S | C | -0.5154 | |
| 128 | L | C | 0.0000 | |
| 129 | A | C | -0.6689 | |
| 130 | P | C | -1.0822 | |
| 131 | K | C | -1.8339 | |
| 132 | A | C | -0.9810 | |
| 133 | Q | C | -0.7063 | |
| 134 | I | C | -0.3306 | |
| 135 | K | C | -0.6717 | |
| 136 | E | C | -1.3377 | |
| 137 | S | C | 0.0000 | |
| 138 | L | C | 0.2419 | |
| 139 | R | C | -1.4342 | |
| 140 | A | C | 0.0000 | |
| 141 | E | C | 0.0000 | |
| 142 | L | C | 0.0000 | |
| 143 | R | C | 0.0000 | |
| 144 | V | C | 0.0000 | |
| 145 | T | C | -1.8127 | |
| 146 | E | C | -2.5514 | |
| 1 | E | D | -1.6618 | |
| 2 | I | D | 0.0000 | |
| 3 | V | D | 0.7010 | |
| 4 | L | D | 0.0000 | |
| 5 | T | D | -0.3937 | |
| 6 | Q | D | -0.5047 | |
| 7 | S | D | -0.5965 | |
| 8 | P | D | -0.2940 | |
| 9 | A | D | -0.2927 | |
| 10 | T | D | -0.4350 | |
| 11 | L | D | -0.1750 | |
| 12 | S | D | -0.4044 | |
| 13 | L | D | -0.6509 | |
| 14 | S | D | -0.9333 | |
| 15 | P | D | -1.3990 | |
| 16 | G | D | -1.7945 | |
| 17 | E | D | -2.3955 | |
| 18 | R | D | -2.6943 | |
| 19 | A | D | 0.0000 | |
| 20 | T | D | -0.6707 | |
| 21 | L | D | 0.0000 | |
| 22 | S | D | -0.7660 | |
| 23 | C | D | 0.0000 | |
| 24 | R | D | -1.7015 | |
| 25 | A | D | 0.0000 | |
| 26 | S | D | -1.1088 | |
| 27 | K | D | -2.2306 | |
| 28 | G | D | -1.6642 | |
| 29 | V | D | 0.0000 | |
| 30 | S | D | -0.8176 | |
| 31 | T | D | -0.8793 | |
| 32 | S | D | -0.7786 | |
| 33 | G | D | -1.2595 | |
| 34 | Y | D | 0.0000 | |
| 35 | S | D | 0.0000 | |
| 36 | Y | D | 0.0000 | |
| 37 | L | D | 0.0000 | |
| 38 | H | D | 0.0000 | |
| 39 | W | D | 0.0000 | |
| 40 | Y | D | 0.0000 | |
| 41 | Q | D | 0.0000 | |
| 42 | Q | D | 0.0000 | |
| 43 | K | D | -1.6033 | |
| 44 | P | D | -1.0949 | |
| 45 | G | D | -1.4190 | |
| 46 | Q | D | -2.1884 | |
| 47 | A | D | -1.5436 | |
| 48 | P | D | 0.0000 | |
| 49 | R | D | -2.0690 | |
| 50 | L | D | 0.0000 | |
| 51 | L | D | 0.0000 | |
| 52 | I | D | 0.0000 | |
| 53 | Y | D | 0.0000 | |
| 54 | L | D | 0.0000 | |
| 55 | A | D | 0.0000 | |
| 56 | S | D | -0.2818 | |
| 57 | Y | D | 0.0883 | |
| 58 | L | D | -0.1407 | |
| 59 | E | D | -0.8202 | |
| 60 | S | D | -0.8858 | |
| 61 | G | D | -0.5278 | |
| 62 | V | D | -0.4337 | |
| 63 | P | D | -0.2637 | |
| 64 | A | D | -0.2167 | |
| 65 | R | D | -0.6869 | |
| 66 | F | D | 0.0000 | |
| 67 | S | D | -0.2975 | |
| 68 | G | D | -0.3096 | |
| 69 | S | D | -0.7018 | |
| 70 | G | D | -1.0968 | |
| 71 | S | D | -1.1112 | |
| 72 | G | D | -1.2989 | |
| 73 | T | D | -1.7170 | |
| 74 | D | D | -2.1041 | |
| 75 | F | D | 0.0000 | |
| 76 | T | D | -0.7410 | |
| 77 | L | D | 0.0000 | |
| 78 | T | D | -0.6384 | |
| 79 | I | D | 0.0000 | |
| 80 | S | D | -1.3675 | |
| 81 | S | D | -1.6967 | |
| 82 | L | D | 0.0000 | |
| 83 | E | D | -2.1406 | |
| 84 | P | D | -1.4018 | |
| 85 | E | D | -2.2393 | |
| 86 | D | D | 0.0000 | |
| 87 | F | D | -0.5308 | |
| 88 | A | D | 0.0000 | |
| 89 | V | D | -0.4081 | |
| 90 | Y | D | 0.0000 | |
| 91 | Y | D | 0.0000 | |
| 92 | C | D | 0.0000 | |
| 93 | Q | D | 0.0000 | |
| 94 | H | D | 0.0000 | |
| 95 | S | D | 0.0000 | |
| 96 | R | D | -1.4490 | |
| 97 | D | D | -1.1200 | |
| 98 | L | D | -0.5606 | |
| 99 | P | D | -0.9675 | |
| 100 | L | D | 0.0000 | |
| 101 | T | D | -0.1202 | |
| 102 | F | D | 0.0000 | |
| 103 | G | D | 0.0000 | |
| 104 | G | D | -0.6400 | |
| 105 | G | D | -0.5032 | |
| 106 | T | D | 0.0000 | |
| 107 | K | D | -0.6676 | |
| 108 | V | D | 0.0000 | |
| 109 | E | D | -0.4498 | |
| 110 | I | D | 0.6629 | |
| 111 | K | D | -0.9748 | |
| 1 | Q | E | -1.4166 | |
| 2 | V | E | -0.3659 | |
| 3 | Q | E | -0.7570 | |
| 4 | L | E | 0.0000 | |
| 5 | V | E | -0.0330 | |
| 6 | Q | E | 0.0000 | |
| 7 | S | E | -0.2956 | |
| 8 | G | E | 0.2331 | |
| 9 | V | E | 1.7310 | |
| 10 | E | E | 0.8709 | |
| 11 | V | E | 1.3801 | |
| 12 | K | E | -0.3509 | |
| 13 | K | E | -1.6430 | |
| 14 | P | E | -1.4019 | |
| 15 | G | E | -1.2120 | |
| 16 | A | E | -1.1373 | |
| 17 | S | E | -1.7237 | |
| 18 | V | E | 0.0000 | |
| 19 | K | E | -2.2171 | |
| 20 | V | E | 0.0000 | |
| 21 | S | E | -0.6155 | |
| 22 | C | E | 0.0000 | |
| 23 | K | E | -0.9533 | |
| 24 | A | E | 0.0000 | |
| 25 | S | E | -0.3203 | |
| 27 | Y | E | 0.0380 | |
| 28 | T | E | 0.0222 | |
| 29 | F | E | 0.0000 | |
| 30 | T | E | -0.3389 | |
| 31 | N | E | -0.6021 | |
| 32 | Y | E | -0.1744 | |
| 33 | Y | E | 0.0000 | |
| 34 | M | E | 0.0000 | |
| 35 | Y | E | 0.0000 | |
| 36 | W | E | 0.0000 | |
| 37 | V | E | 0.0000 | |
| 38 | R | E | 0.0000 | |
| 39 | Q | E | -0.6056 | |
| 40 | A | E | -1.0602 | |
| 41 | P | E | -1.0765 | |
| 42 | G | E | -1.2372 | |
| 43 | Q | E | -1.7709 | |
| 44 | G | E | -1.2126 | |
| 45 | L | E | 0.0000 | |
| 46 | E | E | -0.6668 | |
| 47 | W | E | 0.0000 | |
| 48 | M | E | 0.0000 | |
| 49 | G | E | 0.0000 | |
| 50 | G | E | 0.0000 | |
| 51 | I | E | 0.0000 | |
| 52 | N | E | 0.0000 | |
| 53 | P | E | -0.8331 | |
| 54 | S | E | -1.1530 | |
| 55 | N | E | -1.5575 | |
| 56 | G | E | -1.2714 | |
| 57 | G | E | -1.0864 | |
| 58 | T | E | -0.5093 | |
| 59 | N | E | -0.5850 | |
| 60 | F | E | -1.1179 | |
| 61 | N | E | -1.7774 | |
| 62 | E | E | -3.2814 | |
| 63 | K | E | -3.1985 | |
| 64 | F | E | 0.0000 | |
| 65 | K | E | -3.0933 | |
| 66 | N | E | -2.7215 | |
| 67 | R | E | -2.2452 | |
| 68 | V | E | 0.0000 | |
| 69 | T | E | -1.0863 | |
| 70 | L | E | 0.0000 | |
| 71 | T | E | -0.3242 | |
| 72 | T | E | -0.7292 | |
| 73 | D | E | -0.7878 | |
| 74 | S | E | -0.3438 | |
| 75 | S | E | -0.3913 | |
| 76 | T | E | -0.5376 | |
| 77 | T | E | -0.6161 | |
| 78 | T | E | 0.0000 | |
| 79 | A | E | 0.0000 | |
| 80 | Y | E | -0.5420 | |
| 81 | M | E | 0.0000 | |
| 82 | E | E | -1.8166 | |
| 83 | L | E | 0.0000 | |
| 84 | K | E | -2.1470 | |
| 85 | S | E | -1.4467 | |
| 86 | L | E | 0.0000 | |
| 87 | Q | E | -0.9048 | |
| 88 | F | E | 0.3516 | |
| 89 | D | E | -1.0866 | |
| 90 | D | E | 0.0000 | |
| 91 | T | E | -0.0547 | |
| 92 | A | E | 0.0000 | |
| 93 | V | E | 0.3651 | |
| 94 | Y | E | 0.0000 | |
| 95 | Y | E | 0.0000 | |
| 96 | C | E | 0.0000 | |
| 97 | A | E | 0.0000 | |
| 98 | R | E | -0.2547 | |
| 99 | R | E | 0.0000 | |
| 100 | D | E | -0.4044 | |
| 101 | Y | E | -0.3033 | |
| 102 | R | E | -0.3535 | |
| 103 | F | E | 0.0000 | |
| 104 | D | E | 0.0000 | |
| 105 | M | E | -0.0925 | |
| 106 | G | E | 0.0000 | |
| 107 | F | E | 0.0000 | |
| 108 | D | E | -0.8227 | |
| 109 | Y | E | -0.3776 | |
| 110 | W | E | 0.0000 | |
| 111 | G | E | 0.0000 | |
| 112 | Q | E | -1.3772 | |
| 113 | G | E | -0.5155 | |
| 114 | T | E | 0.0000 | |
| 115 | T | E | 0.7191 | |
| 116 | V | E | 0.0000 | |
| 117 | T | E | 0.4475 | |
| 118 | V | E | 0.0000 | |
| 119 | S | E | -0.2505 | |
| 120 | S | E | -0.6092 | |
| 31 | S | F | 0.0000 | |
| 32 | W | F | 0.0000 | |
| 33 | N | F | 0.0000 | |
| 34 | P | F | -0.5082 | |
| 35 | P | F | 0.0000 | |
| 36 | T | F | -0.4249 | |
| 37 | F | F | 0.0000 | |
| 38 | S | F | -0.2453 | |
| 39 | P | F | -0.2087 | |
| 40 | A | F | -0.3625 | |
| 41 | L | F | -0.0532 | |
| 42 | L | F | 0.6744 | |
| 43 | V | F | 0.5441 | |
| 44 | V | F | -1.0377 | |
| 45 | T | F | -2.3703 | |
| 46 | E | F | -4.0119 | |
| 47 | G | F | -3.4064 | |
| 48 | D | F | -3.3970 | |
| 49 | N | F | -2.8722 | |
| 50 | A | F | 0.0000 | |
| 51 | T | F | -0.6436 | |
| 52 | F | F | 0.0000 | |
| 53 | T | F | -0.3658 | |
| 54 | C | F | 0.0000 | |
| 55 | S | F | -0.3404 | |
| 56 | F | F | 0.0000 | |
| 57 | S | F | 0.0000 | |
| 58 | N | F | 0.0000 | |
| 59 | T | F | -0.5685 | |
| 60 | S | F | -1.1541 | |
| 61 | E | F | -2.1036 | |
| 62 | S | F | -1.1064 | |
| 63 | F | F | 0.0000 | |
| 64 | V | F | 0.0000 | |
| 65 | L | F | 0.0000 | |
| 66 | N | F | 0.0000 | |
| 67 | W | F | 0.0000 | |
| 68 | Y | F | 0.0000 | |
| 69 | R | F | -1.1295 | |
| 70 | M | F | 0.0000 | |
| 71 | S | F | -1.3416 | |
| 72 | P | F | -1.2420 | |
| 73 | S | F | -1.2560 | |
| 74 | N | F | -2.0455 | |
| 75 | Q | F | -1.8449 | |
| 76 | T | F | -1.3842 | |
| 77 | D | F | -1.3762 | |
| 78 | K | F | 0.0000 | |
| 79 | L | F | 0.0000 | |
| 80 | A | F | 0.0000 | |
| 81 | A | F | 0.0000 | |
| 82 | F | F | -0.7244 | |
| 83 | P | F | 0.0000 | |
| 84 | E | F | -2.0915 | |
| 85 | D | F | 0.0000 | |
| 86 | R | F | -1.4758 | |
| 87 | S | F | 0.0000 | |
| 88 | Q | F | 0.0000 | |
| 89 | P | F | 0.0000 | |
| 90 | G | F | -1.1667 | |
| 91 | Q | F | -1.4762 | |
| 92 | D | F | -1.9242 | |
| 93 | S | F | -1.5548 | |
| 94 | R | F | -1.3843 | |
| 95 | F | F | -1.2180 | |
| 96 | R | F | -1.8625 | |
| 97 | V | F | -1.0581 | |
| 98 | T | F | -1.0872 | |
| 99 | Q | F | -1.3003 | |
| 100 | L | F | -0.8431 | |
| 101 | P | F | -0.8502 | |
| 102 | N | F | -1.0871 | |
| 103 | G | F | -0.8847 | |
| 104 | R | F | -0.7726 | |
| 105 | D | F | -0.7905 | |
| 106 | F | F | 0.0000 | |
| 107 | H | F | -0.8600 | |
| 108 | M | F | 0.0000 | |
| 109 | S | F | 0.0000 | |
| 110 | V | F | 0.0000 | |
| 111 | V | F | -1.7638 | |
| 112 | R | F | -3.2581 | |
| 113 | A | F | 0.0000 | |
| 114 | R | F | -4.5331 | |
| 115 | R | F | -3.9386 | |
| 116 | N | F | -2.9825 | |
| 117 | D | F | 0.0000 | |
| 118 | S | F | 0.0000 | |
| 119 | G | F | 0.0000 | |
| 120 | T | F | 0.0000 | |
| 121 | Y | F | 0.0000 | |
| 122 | L | F | 0.0000 | |
| 123 | C | F | 0.0000 | |
| 124 | G | F | 0.0000 | |
| 125 | A | F | 0.0000 | |
| 126 | I | F | 0.0000 | |
| 127 | S | F | 0.0000 | |
| 128 | L | F | 0.0000 | |
| 129 | A | F | -0.7377 | |
| 130 | P | F | -1.0493 | |
| 131 | K | F | -1.8902 | |
| 132 | A | F | -1.0576 | |
| 133 | Q | F | -0.8720 | |
| 134 | I | F | -0.5784 | |
| 135 | K | F | -0.9570 | |
| 136 | E | F | -1.8180 | |
| 137 | S | F | 0.0000 | |
| 138 | L | F | -0.1152 | |
| 139 | R | F | -1.6179 | |
| 140 | A | F | 0.0000 | |
| 141 | E | F | 0.0000 | |
| 142 | L | F | 0.0000 | |
| 143 | R | F | 0.0000 | |
| 144 | V | F | -1.9679 | |
| 145 | T | F | -1.8946 | |
| 146 | E | F | -2.6676 | |
| 1 | E | G | -1.6400 | |
| 2 | I | G | 0.0000 | |
| 3 | V | G | 0.6263 | |
| 4 | L | G | 0.0000 | |
| 5 | T | G | -0.6948 | |
| 6 | Q | G | 0.0000 | |
| 7 | S | G | -0.7398 | |
| 8 | P | G | -0.5599 | |
| 9 | A | G | -0.4995 | |
| 10 | T | G | -0.5789 | |
| 11 | L | G | -0.5402 | |
| 12 | S | G | -0.8707 | |
| 13 | L | G | -1.0115 | |
| 14 | S | G | -1.2673 | |
| 15 | P | G | -1.4497 | |
| 16 | G | G | -1.6922 | |
| 17 | E | G | -2.2214 | |
| 18 | R | G | -2.5977 | |
| 19 | A | G | 0.0000 | |
| 20 | T | G | -0.5246 | |
| 21 | L | G | 0.0000 | |
| 22 | S | G | -1.0432 | |
| 23 | C | G | 0.0000 | |
| 24 | R | G | -2.6494 | |
| 25 | A | G | 0.0000 | |
| 26 | S | G | -1.3133 | |
| 27 | K | G | -2.3716 | |
| 28 | G | G | -1.8624 | |
| 29 | V | G | 0.0000 | |
| 30 | S | G | -0.7404 | |
| 31 | T | G | -0.6760 | |
| 32 | S | G | -0.6713 | |
| 33 | G | G | -0.5789 | |
| 34 | Y | G | -0.3543 | |
| 35 | S | G | -0.4496 | |
| 36 | Y | G | 0.0000 | |
| 37 | L | G | 0.0000 | |
| 38 | H | G | 0.0000 | |
| 39 | W | G | 0.0000 | |
| 40 | Y | G | 0.0000 | |
| 41 | Q | G | 0.0000 | |
| 42 | Q | G | -0.7074 | |
| 43 | K | G | -0.8270 | |
| 44 | P | G | -0.8961 | |
| 45 | G | G | -1.3073 | |
| 46 | Q | G | -1.0660 | |
| 47 | A | G | -0.7761 | |
| 48 | P | G | 0.0000 | |
| 49 | R | G | -1.0833 | |
| 50 | L | G | 0.0000 | |
| 51 | L | G | 0.0000 | |
| 52 | I | G | 0.0000 | |
| 53 | Y | G | 0.0000 | |
| 54 | L | G | 0.0000 | |
| 55 | A | G | 0.0000 | |
| 56 | S | G | -0.1254 | |
| 57 | Y | G | 0.3358 | |
| 58 | L | G | 0.4508 | |
| 59 | E | G | -0.2996 | |
| 60 | S | G | -0.4606 | |
| 61 | G | G | -0.5362 | |
| 62 | V | G | 0.0000 | |
| 63 | P | G | -0.2502 | |
| 64 | A | G | -0.1707 | |
| 65 | R | G | -0.6607 | |
| 66 | F | G | 0.0000 | |
| 67 | S | G | -0.2230 | |
| 68 | G | G | -0.2343 | |
| 69 | S | G | -0.7690 | |
| 70 | G | G | -1.3609 | |
| 71 | S | G | -1.3355 | |
| 72 | G | G | -1.5343 | |
| 73 | T | G | -2.2726 | |
| 74 | D | G | -2.9505 | |
| 75 | F | G | 0.0000 | |
| 76 | T | G | -0.9507 | |
| 77 | L | G | 0.0000 | |
| 78 | T | G | -0.6061 | |
| 79 | I | G | 0.0000 | |
| 80 | S | G | -1.3047 | |
| 81 | S | G | -1.7077 | |
| 82 | L | G | 0.0000 | |
| 83 | E | G | -1.8470 | |
| 84 | P | G | -1.1188 | |
| 85 | E | G | -1.4649 | |
| 86 | D | G | 0.0000 | |
| 87 | F | G | 0.0000 | |
| 88 | A | G | 0.0000 | |
| 89 | V | G | -0.4740 | |
| 90 | Y | G | 0.0000 | |
| 91 | Y | G | 0.0000 | |
| 92 | C | G | 0.0000 | |
| 93 | Q | G | 0.0000 | |
| 94 | H | G | 0.0000 | |
| 95 | S | G | 0.0000 | |
| 96 | R | G | -1.5589 | |
| 97 | D | G | -1.5127 | |
| 98 | L | G | -0.8201 | |
| 99 | P | G | -1.1077 | |
| 100 | L | G | 0.0000 | |
| 101 | T | G | -0.0972 | |
| 102 | F | G | 0.0000 | |
| 103 | G | G | 0.0000 | |
| 104 | G | G | -0.7234 | |
| 105 | G | G | 0.0000 | |
| 106 | T | G | 0.0000 | |
| 107 | K | G | -1.2639 | |
| 108 | V | G | 0.0000 | |
| 109 | E | G | -0.9657 | |
| 110 | I | G | -0.6740 | |
| 111 | K | G | -1.5616 | |
| 1 | Q | H | -1.3229 | |
| 2 | V | H | -0.5829 | |
| 3 | Q | H | -0.9717 | |
| 4 | L | H | 0.0000 | |
| 5 | V | H | -0.1071 | |
| 6 | Q | H | 0.0000 | |
| 7 | S | H | -0.1726 | |
| 8 | G | H | 0.1720 | |
| 9 | V | H | 1.5536 | |
| 10 | E | H | 0.7234 | |
| 11 | V | H | 1.2263 | |
| 12 | K | H | -0.6837 | |
| 13 | K | H | -1.7292 | |
| 14 | P | H | -1.5296 | |
| 15 | G | H | -1.3318 | |
| 16 | A | H | -1.2563 | |
| 17 | S | H | -1.8302 | |
| 18 | V | H | 0.0000 | |
| 19 | K | H | -2.2691 | |
| 20 | V | H | 0.0000 | |
| 21 | S | H | 0.0000 | |
| 22 | C | H | 0.0000 | |
| 23 | K | H | -0.5491 | |
| 24 | A | H | 0.0000 | |
| 25 | S | H | -0.5828 | |
| 26 | G | H | -0.6456 | |
| 27 | Y | H | -0.1727 | |
| 28 | T | H | 0.0518 | |
| 29 | F | H | 0.0000 | |
| 30 | T | H | -0.2356 | |
| 31 | N | H | 0.0000 | |
| 32 | Y | H | 0.1773 | |
| 33 | Y | H | 0.0000 | |
| 34 | M | H | 0.0000 | |
| 35 | Y | H | 0.0000 | |
| 36 | W | H | 0.0000 | |
| 37 | V | H | 0.0000 | |
| 38 | R | H | 0.0000 | |
| 39 | Q | H | 0.0000 | |
| 40 | A | H | -0.8957 | |
| 41 | P | H | -0.8023 | |
| 42 | G | H | -1.2008 | |
| 43 | Q | H | -1.6998 | |
| 44 | G | H | -1.0678 | |
| 45 | L | H | 0.0000 | |
| 46 | E | H | -0.6191 | |
| 47 | W | H | 0.0000 | |
| 48 | M | H | 0.0000 | |
| 49 | G | H | 0.0000 | |
| 50 | G | H | 0.0000 | |
| 51 | I | H | 0.0000 | |
| 52 | N | H | 0.0000 | |
| 53 | P | H | 0.0000 | |
| 54 | S | H | -0.9412 | |
| 55 | N | H | -1.6158 | |
| 56 | G | H | -1.2071 | |
| 57 | G | H | -1.0135 | |
| 58 | T | H | -0.5076 | |
| 59 | N | H | -0.5204 | |
| 60 | F | H | -0.9802 | |
| 61 | N | H | -1.7060 | |
| 62 | E | H | -3.1775 | |
| 63 | K | H | -3.1364 | |
| 64 | F | H | 0.0000 | |
| 65 | K | H | -3.0200 | |
| 66 | N | H | -2.6162 | |
| 67 | R | H | -2.1140 | |
| 68 | V | H | 0.0000 | |
| 69 | T | H | -1.0651 | |
| 70 | L | H | 0.0000 | |
| 71 | T | H | -0.3443 | |
| 72 | T | H | -0.6506 | |
| 73 | D | H | -0.9055 | |
| 74 | S | H | -0.7124 | |
| 75 | S | H | -0.5461 | |
| 76 | T | H | -0.5169 | |
| 77 | T | H | -0.5241 | |
| 78 | T | H | 0.0000 | |
| 79 | A | H | 0.0000 | |
| 80 | Y | H | -0.5581 | |
| 81 | M | H | 0.0000 | |
| 82 | E | H | -1.8671 | |
| 83 | L | H | 0.0000 | |
| 84 | K | H | -2.2887 | |
| 85 | S | H | -1.5938 | |
| 86 | L | H | 0.0000 | |
| 87 | Q | H | -1.3211 | |
| 88 | F | H | 0.1521 | |
| 89 | D | H | -1.2010 | |
| 90 | D | H | 0.0000 | |
| 91 | T | H | -0.1113 | |
| 92 | A | H | 0.0000 | |
| 93 | V | H | 0.5735 | |
| 94 | Y | H | 0.0000 | |
| 95 | Y | H | 0.0000 | |
| 96 | C | H | 0.0000 | |
| 97 | A | H | 0.0000 | |
| 98 | R | H | 0.0000 | |
| 99 | R | H | 0.0000 | |
| 100 | D | H | 0.0000 | |
| 101 | Y | H | 0.0000 | |
| 102 | R | H | 0.0000 | |
| 103 | F | H | 0.0000 | |
| 104 | D | H | 0.0000 | |
| 105 | M | H | 0.0000 | |
| 106 | G | H | 0.0000 | |
| 107 | F | H | 0.0000 | |
| 108 | D | H | -0.2040 | |
| 109 | Y | H | 0.2964 | |
| 110 | W | H | 0.0553 | |
| 111 | G | H | 0.0000 | |
| 112 | Q | H | -0.4813 | |
| 113 | G | H | 0.1821 | |
| 114 | T | H | 0.0000 | |
| 115 | T | H | 0.8141 | |
| 116 | V | H | 0.0000 | |
| 117 | T | H | 0.3604 | |
| 118 | V | H | 0.0000 | |
| 119 | S | H | -0.3345 | |
| 120 | S | H | -0.5092 | |
| 31 | S | I | -0.4114 | |
| 32 | W | I | -0.8270 | |
| 33 | N | I | -1.5249 | |
| 34 | P | I | -0.8917 | |
| 35 | P | I | 0.0000 | |
| 36 | T | I | -0.3552 | |
| 37 | F | I | 0.0000 | |
| 38 | S | I | -0.1440 | |
| 39 | P | I | 0.0981 | |
| 40 | A | I | 0.3443 | |
| 41 | L | I | 1.2280 | |
| 42 | L | I | 1.1511 | |
| 43 | V | I | 1.5329 | |
| 44 | V | I | -0.6732 | |
| 45 | T | I | -2.0904 | |
| 46 | E | I | -3.4870 | |
| 47 | G | I | -3.0912 | |
| 48 | D | I | -3.0794 | |
| 49 | N | I | -2.2612 | |
| 50 | A | I | 0.0000 | |
| 51 | T | I | -0.6427 | |
| 52 | F | I | 0.0000 | |
| 53 | T | I | -0.5069 | |
| 54 | C | I | 0.0000 | |
| 55 | S | I | -0.8860 | |
| 56 | F | I | 0.0000 | |
| 57 | S | I | -1.6472 | |
| 58 | N | I | -1.7640 | |
| 62 | S | I | -0.3257 | |
| 63 | F | I | -0.0899 | |
| 64 | V | I | 0.0000 | |
| 65 | L | I | 0.0000 | |
| 66 | N | I | 0.0000 | |
| 67 | W | I | 0.0000 | |
| 68 | Y | I | 0.0000 | |
| 69 | R | I | -0.7597 | |
| 70 | M | I | -0.5095 | |
| 71 | S | I | -0.5526 | |
| 72 | P | I | -0.5396 | |
| 73 | S | I | -0.7626 | |
| 74 | N | I | -0.9062 | |
| 75 | Q | I | -0.6555 | |
| 76 | T | I | 0.0000 | |
| 77 | D | I | -0.7266 | |
| 78 | K | I | 0.0000 | |
| 79 | L | I | 0.0000 | |
| 80 | A | I | 0.0000 | |
| 81 | A | I | 0.0000 | |
| 82 | F | I | -0.8269 | |
| 83 | P | I | 0.0000 | |
| 84 | E | I | -2.7505 | |
| 85 | D | I | -1.9477 | |
| 86 | R | I | -2.4083 | |
| 87 | S | I | 0.0000 | |
| 88 | Q | I | 0.0000 | |
| 89 | P | I | 0.0000 | |
| 90 | G | I | -0.9926 | |
| 91 | Q | I | -1.2868 | |
| 92 | D | I | -1.4285 | |
| 93 | S | I | -1.3155 | |
| 94 | R | I | -1.3665 | |
| 95 | F | I | 0.0000 | |
| 96 | R | I | -2.3495 | |
| 97 | V | I | 0.0000 | |
| 98 | T | I | -1.1563 | |
| 99 | Q | I | -1.1949 | |
| 100 | L | I | -1.0193 | |
| 101 | P | I | -1.1960 | |
| 102 | N | I | -1.9580 | |
| 103 | G | I | -1.8699 | |
| 104 | R | I | -2.2195 | |
| 105 | D | I | -1.4215 | |
| 106 | F | I | 0.0000 | |
| 107 | H | I | -0.9409 | |
| 108 | M | I | 0.0000 | |
| 109 | S | I | -1.0510 | |
| 110 | V | I | 0.0000 | |
| 111 | V | I | -1.7902 | |
| 112 | R | I | -3.1140 | |
| 113 | A | I | 0.0000 | |
| 114 | R | I | -4.4172 | |
| 115 | R | I | -4.0928 | |
| 116 | N | I | -3.0175 | |
| 117 | D | I | 0.0000 | |
| 118 | S | I | -1.9078 | |
| 119 | G | I | -1.3789 | |
| 120 | T | I | -0.8809 | |
| 121 | Y | I | 0.0000 | |
| 122 | L | I | 0.0000 | |
| 123 | C | I | 0.0000 | |
| 124 | G | I | 0.0000 | |
| 125 | A | I | 0.0000 | |
| 126 | I | I | 0.0000 | |
| 127 | S | I | 0.0000 | |
| 128 | L | I | 0.0000 | |
| 129 | A | I | -0.1313 | |
| 130 | P | I | -0.5649 | |
| 131 | K | I | -0.6919 | |
| 132 | A | I | -0.4951 | |
| 133 | Q | I | -0.4684 | |
| 134 | I | I | 0.0000 | |
| 135 | K | I | -0.6298 | |
| 136 | E | I | -0.4889 | |
| 137 | S | I | 0.0000 | |
| 138 | L | I | -0.2075 | |
| 139 | R | I | -0.7392 | |
| 140 | A | I | 0.0000 | |
| 141 | E | I | -1.0047 | |
| 142 | L | I | 0.0000 | |
| 143 | R | I | -1.3827 | |
| 144 | V | I | 0.0000 | |
| 145 | T | I | -2.2049 | |
| 146 | E | I | -2.6008 | |
| 1 | E | J | -1.7778 | |
| 2 | I | J | 0.0000 | |
| 3 | V | J | 0.7067 | |
| 4 | L | J | 0.0000 | |
| 5 | T | J | -0.3737 | |
| 6 | Q | J | 0.0000 | |
| 7 | S | J | -0.5477 | |
| 8 | P | J | -0.4090 | |
| 9 | A | J | -0.3582 | |
| 10 | T | J | -0.3292 | |
| 11 | L | J | -0.3789 | |
| 12 | S | J | -0.7493 | |
| 13 | L | J | -0.8876 | |
| 14 | S | J | -1.1522 | |
| 15 | P | J | -1.3963 | |
| 16 | G | J | -1.6478 | |
| 17 | E | J | -2.1139 | |
| 18 | R | J | -2.5510 | |
| 19 | A | J | 0.0000 | |
| 20 | T | J | -0.5132 | |
| 21 | L | J | 0.0000 | |
| 22 | S | J | -0.7311 | |
| 23 | C | J | 0.0000 | |
| 24 | R | J | -1.6926 | |
| 25 | A | J | 0.0000 | |
| 26 | S | J | -1.1241 | |
| 27 | K | J | -2.2346 | |
| 28 | G | J | -1.7024 | |
| 29 | V | J | 0.0000 | |
| 30 | S | J | -0.7651 | |
| 31 | T | J | -0.6660 | |
| 32 | S | J | -0.6801 | |
| 33 | G | J | -0.6367 | |
| 34 | Y | J | 0.0000 | |
| 35 | S | J | -0.4964 | |
| 36 | Y | J | 0.0000 | |
| 37 | L | J | 0.0000 | |
| 38 | H | J | 0.0000 | |
| 39 | W | J | 0.0000 | |
| 40 | Y | J | 0.0000 | |
| 41 | Q | J | 0.0000 | |
| 42 | Q | J | -0.5912 | |
| 43 | K | J | -0.7681 | |
| 44 | P | J | -0.8850 | |
| 45 | G | J | -1.1429 | |
| 46 | Q | J | -0.9954 | |
| 47 | A | J | -0.6915 | |
| 48 | P | J | 0.0000 | |
| 49 | R | J | -0.9237 | |
| 50 | L | J | 0.0000 | |
| 51 | L | J | 0.0000 | |
| 52 | I | J | 0.0000 | |
| 53 | Y | J | 0.0000 | |
| 54 | L | J | 0.0000 | |
| 55 | A | J | 0.0000 | |
| 56 | S | J | -0.1189 | |
| 57 | Y | J | 0.3314 | |
| 58 | L | J | 0.4690 | |
| 59 | E | J | -0.2817 | |
| 60 | S | J | -0.4544 | |
| 61 | G | J | -0.5235 | |
| 62 | V | J | 0.0000 | |
| 63 | P | J | -0.2487 | |
| 64 | A | J | -0.1640 | |
| 65 | R | J | -0.6684 | |
| 66 | F | J | 0.0000 | |
| 67 | S | J | -0.2225 | |
| 68 | G | J | -0.2331 | |
| 69 | S | J | -0.6722 | |
| 70 | G | J | -1.0668 | |
| 71 | S | J | -1.0910 | |
| 72 | G | J | -1.2873 | |
| 73 | T | J | -1.5718 | |
| 74 | D | J | -2.0345 | |
| 75 | F | J | 0.0000 | |
| 76 | T | J | -0.6931 | |
| 77 | L | J | 0.0000 | |
| 78 | T | J | -0.6188 | |
| 79 | I | J | 0.0000 | |
| 80 | S | J | -1.3197 | |
| 81 | S | J | -1.6487 | |
| 82 | L | J | 0.0000 | |
| 83 | E | J | -1.8452 | |
| 84 | P | J | -1.1134 | |
| 85 | E | J | -1.4558 | |
| 86 | D | J | 0.0000 | |
| 87 | F | J | 0.0000 | |
| 88 | A | J | 0.0000 | |
| 89 | V | J | -0.3045 | |
| 90 | Y | J | 0.0000 | |
| 91 | Y | J | 0.0000 | |
| 92 | C | J | 0.0000 | |
| 93 | Q | J | 0.0000 | |
| 94 | H | J | 0.0000 | |
| 95 | S | J | 0.0000 | |
| 96 | R | J | -1.5927 | |
| 97 | D | J | -1.5455 | |
| 98 | L | J | -0.9407 | |
| 99 | P | J | -0.9997 | |
| 100 | L | J | 0.0000 | |
| 101 | T | J | -0.1221 | |
| 102 | F | J | 0.0000 | |
| 103 | G | J | 0.0000 | |
| 104 | G | J | -0.6982 | |
| 105 | G | J | -0.6609 | |
| 106 | T | J | 0.0000 | |
| 107 | K | J | -0.8176 | |
| 108 | V | J | 0.0000 | |
| 109 | E | J | -0.7030 | |
| 110 | I | J | -0.5342 | |
| 111 | K | J | -1.5079 | |
| 1 | Q | K | -1.4746 | |
| 2 | V | K | -0.8263 | |
| 3 | Q | K | -0.9080 | |
| 4 | L | K | 0.0000 | |
| 5 | V | K | 0.3588 | |
| 6 | Q | K | 0.0000 | |
| 7 | S | K | -0.1580 | |
| 8 | G | K | 0.1326 | |
| 9 | V | K | 1.5183 | |
| 10 | E | K | 0.7714 | |
| 11 | V | K | 1.2798 | |
| 12 | K | K | -0.5498 | |
| 13 | K | K | -1.6609 | |
| 14 | P | K | -1.1974 | |
| 15 | G | K | -1.1642 | |
| 16 | A | K | -1.2238 | |
| 17 | S | K | -1.4133 | |
| 18 | V | K | 0.0000 | |
| 19 | K | K | -1.9136 | |
| 20 | V | K | 0.0000 | |
| 21 | S | K | 0.0000 | |
| 22 | C | K | 0.0000 | |
| 23 | K | K | -0.6349 | |
| 24 | A | K | 0.0000 | |
| 25 | S | K | -0.8512 | |
| 26 | G | K | -1.0453 | |
| 27 | Y | K | -0.3521 | |
| 28 | T | K | 0.0000 | |
| 29 | F | K | 0.0000 | |
| 30 | T | K | -0.2759 | |
| 31 | N | K | 0.0000 | |
| 32 | Y | K | 0.1658 | |
| 33 | Y | K | 0.0000 | |
| 34 | M | K | 0.0000 | |
| 35 | Y | K | 0.0000 | |
| 36 | W | K | 0.0000 | |
| 37 | V | K | 0.0000 | |
| 38 | R | K | 0.0000 | |
| 39 | Q | K | -0.6006 | |
| 40 | A | K | -0.9984 | |
| 41 | P | K | -0.8587 | |
| 42 | G | K | -1.2162 | |
| 43 | Q | K | -1.7259 | |
| 44 | G | K | -1.0964 | |
| 45 | L | K | 0.0000 | |
| 46 | E | K | -0.6665 | |
| 47 | W | K | 0.0000 | |
| 48 | M | K | 0.0000 | |
| 49 | G | K | 0.0000 | |
| 50 | G | K | 0.0000 | |
| 51 | I | K | 0.0000 | |
| 52 | N | K | 0.0000 | |
| 53 | P | K | 0.0000 | |
| 54 | S | K | -0.9969 | |
| 55 | N | K | -1.6422 | |
| 56 | G | K | -1.2197 | |
| 57 | G | K | -1.0560 | |
| 58 | T | K | -0.5150 | |
| 59 | N | K | -0.5979 | |
| 60 | F | K | -1.1227 | |
| 61 | N | K | -1.8122 | |
| 62 | E | K | -3.3565 | |
| 63 | K | K | -3.2406 | |
| 64 | F | K | 0.0000 | |
| 65 | K | K | -3.2694 | |
| 66 | N | K | -2.7268 | |
| 67 | R | K | -2.0325 | |
| 68 | V | K | 0.0000 | |
| 69 | T | K | -0.8138 | |
| 70 | L | K | 0.0000 | |
| 71 | T | K | -0.2241 | |
| 72 | T | K | -0.6837 | |
| 73 | D | K | -1.0256 | |
| 74 | S | K | -0.7439 | |
| 75 | S | K | -0.6047 | |
| 76 | T | K | -0.6548 | |
| 77 | T | K | -0.6739 | |
| 78 | T | K | 0.0000 | |
| 79 | A | K | 0.0000 | |
| 80 | Y | K | -0.2419 | |
| 81 | M | K | 0.0000 | |
| 82 | E | K | -1.1847 | |
| 83 | L | K | 0.0000 | |
| 84 | K | K | -1.4842 | |
| 85 | S | K | -1.2887 | |
| 86 | L | K | 0.0000 | |
| 87 | Q | K | -0.9033 | |
| 88 | F | K | 0.3300 | |
| 89 | D | K | -1.0705 | |
| 90 | D | K | 0.0000 | |
| 91 | T | K | -0.0809 | |
| 92 | A | K | 0.0000 | |
| 93 | V | K | 0.3064 | |
| 94 | Y | K | 0.0000 | |
| 95 | Y | K | 0.0000 | |
| 96 | C | K | 0.0000 | |
| 97 | A | K | 0.0000 | |
| 98 | R | K | 0.0000 | |
| 99 | R | K | 0.0000 | |
| 100 | D | K | 0.0000 | |
| 101 | Y | K | 0.0000 | |
| 102 | R | K | 0.0000 | |
| 103 | F | K | 0.0000 | |
| 104 | D | K | 0.0000 | |
| 105 | M | K | 0.0000 | |
| 106 | G | K | 0.0000 | |
| 107 | F | K | 0.0000 | |
| 108 | D | K | -0.0762 | |
| 109 | Y | K | 0.4543 | |
| 110 | W | K | 0.2183 | |
| 111 | G | K | 0.0000 | |
| 112 | Q | K | -0.4873 | |
| 113 | G | K | 0.1711 | |
| 114 | T | K | 0.0000 | |
| 115 | T | K | 0.6856 | |
| 116 | V | K | 0.0000 | |
| 117 | T | K | 0.4033 | |
| 118 | V | K | 0.0000 | |
| 119 | S | K | -0.2287 | |
| 120 | S | K | -0.4688 | |
| 31 | S | L | -0.4226 | |
| 32 | W | L | -0.8760 | |
| 33 | N | L | -1.5472 | |
| 34 | P | L | -0.8901 | |
| 35 | P | L | 0.0000 | |
| 36 | T | L | -0.3154 | |
| 37 | F | L | 0.0000 | |
| 38 | S | L | -0.1858 | |
| 39 | P | L | 0.1271 | |
| 40 | A | L | 0.1139 | |
| 41 | L | L | 0.5367 | |
| 42 | L | L | 0.5680 | |
| 43 | V | L | 0.7910 | |
| 44 | V | L | 0.0000 | |
| 45 | T | L | -2.7453 | |
| 46 | E | L | -4.3155 | |
| 47 | G | L | -3.6172 | |
| 48 | D | L | -3.5629 | |
| 49 | N | L | -2.5875 | |
| 50 | A | L | 0.0000 | |
| 51 | T | L | -0.4485 | |
| 52 | F | L | 0.0000 | |
| 53 | T | L | -0.3125 | |
| 54 | C | L | 0.0000 | |
| 55 | S | L | -0.8728 | |
| 56 | F | L | 0.0000 | |
| 57 | S | L | -1.5398 | |
| 58 | N | L | -1.8013 | |
| 62 | S | L | -0.3076 | |
| 63 | F | L | -0.0115 | |
| 64 | V | L | 0.0000 | |
| 65 | L | L | 0.0000 | |
| 66 | N | L | 0.0000 | |
| 67 | W | L | 0.0000 | |
| 68 | Y | L | 0.0000 | |
| 69 | R | L | -0.7414 | |
| 70 | M | L | -0.5323 | |
| 71 | S | L | -0.5949 | |
| 72 | P | L | -0.5272 | |
| 73 | S | L | -0.6858 | |
| 74 | N | L | -0.8598 | |
| 75 | Q | L | -0.8123 | |
| 76 | T | L | 0.0000 | |
| 77 | D | L | -0.8434 | |
| 78 | K | L | 0.0000 | |
| 79 | L | L | -0.5827 | |
| 80 | A | L | -1.1474 | |
| 81 | A | L | 0.0000 | |
| 82 | F | L | -0.6827 | |
| 83 | P | L | 0.0000 | |
| 84 | E | L | -2.4853 | |
| 85 | D | L | 0.0000 | |
| 86 | R | L | -2.1664 | |
| 87 | S | L | 0.0000 | |
| 88 | Q | L | 0.0000 | |
| 89 | P | L | 0.0000 | |
| 90 | G | L | -1.1937 | |
| 91 | Q | L | -1.3964 | |
| 92 | D | L | -1.6302 | |
| 93 | S | L | -1.4128 | |
| 94 | R | L | -1.4405 | |
| 95 | F | L | 0.0000 | |
| 96 | R | L | -2.1160 | |
| 97 | V | L | -1.1793 | |
| 98 | T | L | -0.9677 | |
| 99 | Q | L | -1.2107 | |
| 100 | L | L | -1.0178 | |
| 101 | P | L | -1.2425 | |
| 102 | N | L | -2.0127 | |
| 103 | G | L | -1.9910 | |
| 104 | R | L | -2.3995 | |
| 105 | D | L | -1.4794 | |
| 106 | F | L | 0.0000 | |
| 107 | H | L | -0.7575 | |
| 108 | M | L | 0.0000 | |
| 109 | S | L | 0.0000 | |
| 110 | V | L | 0.0000 | |
| 111 | V | L | -1.8565 | |
| 112 | R | L | -3.6138 | |
| 113 | A | L | 0.0000 | |
| 114 | R | L | -4.3646 | |
| 115 | R | L | -4.3922 | |
| 116 | N | L | -2.9269 | |
| 117 | D | L | 0.0000 | |
| 118 | S | L | -2.3379 | |
| 119 | G | L | -1.5798 | |
| 120 | T | L | -0.9124 | |
| 121 | Y | L | 0.0000 | |
| 122 | L | L | 0.0000 | |
| 123 | C | L | 0.0000 | |
| 124 | G | L | 0.0000 | |
| 125 | A | L | 0.0000 | |
| 126 | I | L | 0.0000 | |
| 127 | S | L | 0.0000 | |
| 128 | L | L | 0.0000 | |
| 129 | A | L | -0.1551 | |
| 130 | P | L | -0.5603 | |
| 131 | K | L | -0.6476 | |
| 132 | A | L | -0.4039 | |
| 133 | Q | L | -0.2682 | |
| 134 | I | L | 0.0000 | |
| 135 | K | L | -0.6223 | |
| 136 | E | L | -0.4666 | |
| 137 | S | L | 0.0000 | |
| 138 | L | L | -0.0102 | |
| 139 | R | L | -0.6213 | |
| 140 | A | L | 0.0000 | |
| 141 | E | L | -1.3625 | |
| 142 | L | L | 0.0000 | |
| 143 | R | L | -2.2499 | |
| 144 | V | L | 0.0000 | |
| 145 | T | L | -2.3953 | |
| 146 | E | L | -2.5742 |
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 | -0.6247 | 3.2265 | View | CSV | PDB |
| 4.5 | -0.6594 | 3.0429 | View | CSV | PDB |
| 5.0 | -0.702 | 2.8495 | View | CSV | PDB |
| 5.5 | -0.744 | 2.6648 | View | CSV | PDB |
| 6.0 | -0.7765 | 2.4989 | View | CSV | PDB |
| 6.5 | -0.7925 | 2.3512 | View | CSV | PDB |
| 7.0 | -0.7914 | 2.216 | View | CSV | PDB |
| 7.5 | -0.7778 | 2.0911 | View | CSV | PDB |
| 8.0 | -0.7573 | 1.9822 | View | CSV | PDB |
| 8.5 | -0.7321 | 1.907 | View | CSV | PDB |
| 9.0 | -0.7029 | 2.1249 | 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