| Chain sequence(s) |
A: DIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
C: TQVCTGTDMKLRLPASPETHLDMLRHLYQGCQVVQGNLELTYLPTNASLSFLQDIQEVQGYVLIAHNQVRQVPLQRLRIVRGTQLFEDNYALAVLDNGDPLSPGGLRELQLRSLTEILKGGVLIQRNPQLCYQDTILWKDIFHKNNQLALTLIDTNRSRACHPCSPMCKGSRCWGESSEDCQSLTRTVCAGGCARCKGPLPTDCCHEQCAAGCTGPKHSDCLACLHFNHSGICELHCPALVTYNTDTFESMPNPEGRYTFGASCVTACPYNYLSTDVGSCTLVCPLHNQEVTATQRCEKCSKPCARVCYGLGMEHLREVRAVTSANIQEFAGCKKIFGSLAFLPESFDSNTAPLQPEQLQVFETLEEITGYLYISAWPDSLPDLSVFQNLQVIRGRILHNGAYSLTLQGLGISWLGLRSLRELGSGLALIHHNTHLCFVHTVPWDQLFRNPHQALLHTANRPEDECVGEGLACHQLCARGHCWGPGPTQCVNCSQFLRGQECVEECRVLQGLPREYVNARHCLPCHPECQPQNGSVTCFGPEADQCVACAHYKDPPFCVARCPSIWKFPDEEGACQPCPIN B: EVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEP input PDB |
| Selected Chain(s) | A,C,B |
| 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:11:09)
[INFO] Main: Simulation completed successfully. (00:11:23)
|
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 | D | A | -2.2688 | |
| 2 | I | A | 0.0000 | |
| 3 | Q | A | -2.1056 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -1.2899 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.7700 | |
| 8 | P | A | -0.5459 | |
| 9 | S | A | -0.7594 | |
| 10 | S | A | -0.5866 | |
| 11 | L | A | -0.4862 | |
| 12 | S | A | -0.9721 | |
| 13 | A | A | -1.0437 | |
| 14 | S | A | -0.8806 | |
| 15 | V | A | 0.1261 | |
| 16 | G | A | -0.7133 | |
| 17 | D | A | -1.7700 | |
| 18 | R | A | -2.3402 | |
| 19 | V | A | 0.0000 | |
| 20 | T | A | -0.6506 | |
| 21 | I | A | 0.0000 | |
| 22 | T | A | -0.7503 | |
| 23 | C | A | 0.0000 | |
| 24 | R | A | -2.5395 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -2.0110 | |
| 27 | Q | A | -2.4831 | |
| 28 | D | A | -2.0243 | |
| 29 | V | A | 0.0000 | |
| 30 | N | A | 0.0000 | |
| 31 | T | A | -0.4177 | |
| 32 | A | A | 0.0000 | |
| 33 | V | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | W | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | Q | A | 0.0000 | |
| 38 | Q | A | 0.0000 | |
| 39 | K | A | -1.6676 | |
| 40 | P | A | -1.4205 | |
| 41 | G | A | -1.7105 | |
| 42 | K | A | -2.5101 | |
| 43 | A | A | -1.5680 | |
| 44 | P | A | 0.0000 | |
| 45 | K | A | -1.3688 | |
| 46 | L | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | Y | A | 0.5045 | |
| 50 | S | A | 0.1549 | |
| 51 | A | A | 0.0000 | |
| 52 | S | A | -0.0163 | |
| 53 | F | A | 0.6307 | |
| 54 | L | A | 0.7627 | |
| 55 | Y | A | 0.3206 | |
| 56 | S | A | -0.1238 | |
| 57 | G | A | -0.3814 | |
| 58 | V | A | -0.1849 | |
| 59 | P | A | -0.2809 | |
| 60 | S | A | -0.3460 | |
| 61 | R | A | -0.6910 | |
| 62 | F | A | 0.0000 | |
| 63 | S | A | -0.1511 | |
| 64 | G | A | -0.2317 | |
| 65 | S | A | -0.8200 | |
| 66 | R | A | -1.4957 | |
| 67 | S | A | -1.2459 | |
| 68 | G | A | -1.5208 | |
| 69 | T | A | -1.8312 | |
| 70 | D | A | -1.8763 | |
| 71 | F | A | 0.0000 | |
| 72 | T | A | -0.7621 | |
| 73 | L | A | 0.0000 | |
| 74 | T | A | -0.6305 | |
| 75 | I | A | 0.0000 | |
| 76 | S | A | -1.4487 | |
| 77 | S | A | -1.1194 | |
| 78 | L | A | 0.0000 | |
| 79 | Q | A | -0.8903 | |
| 80 | P | A | -1.6685 | |
| 81 | E | A | -2.1523 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | T | A | -0.6302 | |
| 86 | Y | A | 0.0000 | |
| 87 | Y | A | 0.0000 | |
| 88 | C | A | 0.0000 | |
| 89 | Q | A | 0.0000 | |
| 90 | Q | A | 0.0000 | |
| 91 | H | A | 0.0000 | |
| 92 | Y | A | -0.1596 | |
| 93 | T | A | -0.4131 | |
| 94 | T | A | -0.3747 | |
| 95 | P | A | -0.5977 | |
| 96 | P | A | 0.0000 | |
| 97 | T | A | -0.6945 | |
| 98 | F | A | -0.4898 | |
| 99 | G | A | 0.0000 | |
| 100 | Q | A | -1.7194 | |
| 101 | G | A | 0.0000 | |
| 102 | T | A | 0.0000 | |
| 103 | K | A | -1.0285 | |
| 104 | V | A | 0.0000 | |
| 105 | E | A | -1.1373 | |
| 106 | I | A | 0.0000 | |
| 107 | K | A | -1.5515 | |
| 108 | R | A | -0.7811 | |
| 109 | T | A | 0.1872 | |
| 110 | V | A | 1.0957 | |
| 111 | A | A | 0.4316 | |
| 112 | A | A | 0.1568 | |
| 113 | P | A | 0.0000 | |
| 114 | S | A | -0.0966 | |
| 115 | V | A | 0.0000 | |
| 116 | F | A | 0.0000 | |
| 117 | I | A | 0.0000 | |
| 118 | F | A | 0.0000 | |
| 119 | P | A | -0.6644 | |
| 120 | P | A | 0.0000 | |
| 121 | S | A | -1.5756 | |
| 122 | D | A | -2.9459 | |
| 123 | E | A | -2.8932 | |
| 124 | Q | A | 0.0000 | |
| 125 | L | A | -2.2420 | |
| 126 | K | A | -2.7824 | |
| 127 | S | A | -1.7727 | |
| 128 | G | A | -1.4238 | |
| 129 | T | A | -1.0198 | |
| 130 | A | A | 0.0000 | |
| 131 | S | A | 0.0000 | |
| 132 | V | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | C | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | N | A | 0.0000 | |
| 138 | N | A | -0.7988 | |
| 139 | F | A | 0.0000 | |
| 140 | Y | A | -0.6866 | |
| 141 | P | A | -1.2851 | |
| 142 | R | A | -2.1018 | |
| 143 | E | A | -2.8466 | |
| 144 | A | A | -2.2114 | |
| 145 | K | A | -2.4798 | |
| 146 | V | A | -1.2697 | |
| 147 | Q | A | -0.7459 | |
| 148 | W | A | 0.0000 | |
| 149 | K | A | -0.8541 | |
| 150 | V | A | 0.0000 | |
| 151 | D | A | -2.2979 | |
| 152 | N | A | -1.7192 | |
| 153 | A | A | -0.3375 | |
| 154 | L | A | 0.6686 | |
| 155 | Q | A | -0.1998 | |
| 156 | S | A | -0.5158 | |
| 157 | G | A | -0.9057 | |
| 158 | N | A | -0.7789 | |
| 159 | S | A | -1.2246 | |
| 160 | Q | A | -1.6197 | |
| 161 | E | A | -2.1076 | |
| 162 | S | A | -0.7851 | |
| 163 | V | A | -0.3430 | |
| 164 | T | A | -0.7360 | |
| 165 | E | A | -1.9013 | |
| 166 | Q | A | 0.0000 | |
| 167 | D | A | -2.0736 | |
| 168 | S | A | -2.2957 | |
| 169 | K | A | -2.6455 | |
| 170 | D | A | -1.8686 | |
| 171 | S | A | 0.0000 | |
| 172 | T | A | 0.0000 | |
| 173 | Y | A | 0.0000 | |
| 174 | S | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | S | A | 0.0000 | |
| 177 | S | A | 0.0000 | |
| 178 | T | A | -0.7143 | |
| 179 | L | A | 0.0000 | |
| 180 | T | A | -0.4566 | |
| 181 | L | A | -0.6650 | |
| 182 | S | A | -1.0649 | |
| 183 | K | A | -2.0353 | |
| 184 | A | A | -1.8896 | |
| 185 | D | A | -2.5477 | |
| 186 | Y | A | 0.0000 | |
| 187 | E | A | -3.4532 | |
| 188 | K | A | -3.5953 | |
| 189 | H | A | -3.1447 | |
| 190 | K | A | -3.4852 | |
| 191 | V | A | -1.8127 | |
| 192 | Y | A | 0.0000 | |
| 193 | A | A | 0.0000 | |
| 194 | C | A | 0.0000 | |
| 195 | E | A | -0.6883 | |
| 196 | V | A | 0.0000 | |
| 197 | T | A | -1.1225 | |
| 198 | H | A | 0.0000 | |
| 199 | Q | A | -1.5289 | |
| 200 | G | A | -0.1229 | |
| 201 | L | A | -0.0487 | |
| 202 | S | A | -0.3896 | |
| 203 | S | A | -0.3496 | |
| 204 | P | A | -0.4678 | |
| 205 | V | A | 0.1553 | |
| 206 | T | A | -0.3185 | |
| 207 | K | A | -0.6170 | |
| 208 | S | A | -0.7789 | |
| 209 | F | A | 0.0000 | |
| 210 | N | A | -2.2943 | |
| 211 | R | A | -2.9050 | |
| 212 | G | A | -2.3029 | |
| 213 | E | A | -2.3738 | |
| 214 | C | A | -0.6310 | |
| 1 | E | B | -2.0244 | |
| 2 | V | B | -1.3084 | |
| 3 | Q | B | -1.2927 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 0.2717 | |
| 6 | E | B | 0.0000 | |
| 7 | S | B | -0.5279 | |
| 8 | G | B | -0.7519 | |
| 9 | G | B | -0.5473 | |
| 10 | G | B | -0.3024 | |
| 11 | L | B | -0.1343 | |
| 12 | V | B | 0.0000 | |
| 13 | Q | B | -1.6494 | |
| 14 | P | B | -1.4556 | |
| 15 | G | B | -1.4010 | |
| 16 | G | B | -1.1177 | |
| 17 | S | B | -1.3243 | |
| 18 | L | B | -1.2025 | |
| 19 | R | B | -2.2071 | |
| 20 | L | B | 0.0000 | |
| 21 | S | B | -0.5607 | |
| 22 | C | B | 0.0000 | |
| 23 | A | B | -0.3554 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -1.0914 | |
| 26 | G | B | -1.2567 | |
| 27 | F | B | -1.2365 | |
| 28 | N | B | -2.0414 | |
| 29 | I | B | 0.0000 | |
| 30 | K | B | -2.4454 | |
| 31 | D | B | -2.0750 | |
| 32 | T | B | 0.0000 | |
| 33 | Y | B | -0.4252 | |
| 34 | I | B | 0.0000 | |
| 35 | H | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | -0.8020 | |
| 40 | A | B | -1.1578 | |
| 41 | P | B | -0.9543 | |
| 42 | G | B | -1.4655 | |
| 43 | K | B | -2.3974 | |
| 44 | G | B | -1.6587 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -1.0662 | |
| 47 | W | B | 0.0000 | |
| 48 | V | B | 0.0000 | |
| 49 | A | B | 0.0000 | |
| 50 | R | B | 0.0000 | |
| 51 | I | B | 0.0000 | |
| 52 | Y | B | -0.4193 | |
| 53 | P | B | 0.0000 | |
| 54 | T | B | -1.3051 | |
| 55 | N | B | -1.3368 | |
| 56 | G | B | -0.8224 | |
| 57 | Y | B | 0.0575 | |
| 58 | T | B | 0.0060 | |
| 59 | R | B | -0.4813 | |
| 60 | Y | B | -0.9746 | |
| 61 | A | B | -1.4646 | |
| 62 | D | B | -2.4519 | |
| 63 | S | B | -1.8034 | |
| 64 | V | B | 0.0000 | |
| 65 | K | B | -2.6189 | |
| 66 | G | B | -1.7609 | |
| 67 | R | B | -1.4304 | |
| 68 | F | B | 0.0000 | |
| 69 | T | B | -1.0551 | |
| 70 | I | B | 0.0000 | |
| 71 | S | B | -0.3142 | |
| 72 | A | B | -0.9591 | |
| 73 | D | B | -1.5105 | |
| 74 | T | B | -1.6646 | |
| 75 | S | B | -1.5935 | |
| 76 | K | B | -2.2332 | |
| 77 | N | B | -1.8364 | |
| 78 | T | B | 0.0000 | |
| 79 | A | B | 0.0000 | |
| 80 | Y | B | 0.0000 | |
| 81 | L | B | 0.0000 | |
| 82 | Q | B | -1.6022 | |
| 83 | M | B | 0.0000 | |
| 84 | N | B | -1.3863 | |
| 85 | S | B | -1.1687 | |
| 86 | L | B | 0.0000 | |
| 87 | R | B | -2.2318 | |
| 88 | A | B | -1.6540 | |
| 89 | E | B | -2.1930 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.6759 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | 0.1851 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.0000 | |
| 96 | C | B | 0.0000 | |
| 97 | S | B | 0.0000 | |
| 98 | R | B | -0.1623 | |
| 99 | W | B | 0.0000 | |
| 100 | G | B | 0.0000 | |
| 101 | G | B | -0.8615 | |
| 102 | D | B | -1.6437 | |
| 103 | G | B | 0.0000 | |
| 104 | F | B | -0.0749 | |
| 105 | Y | B | 0.0000 | |
| 106 | A | B | 0.0000 | |
| 107 | M | B | 0.0000 | |
| 108 | D | B | -0.2568 | |
| 109 | Y | B | -0.4863 | |
| 110 | W | B | -0.5476 | |
| 111 | G | B | 0.0000 | |
| 112 | Q | B | -1.5413 | |
| 113 | G | B | -0.7006 | |
| 114 | T | B | -0.0918 | |
| 115 | L | B | 0.1764 | |
| 116 | V | B | 0.0000 | |
| 117 | T | B | 0.0000 | |
| 118 | V | B | 0.0000 | |
| 119 | S | B | -0.8079 | |
| 120 | S | B | -0.7389 | |
| 121 | A | B | -0.5323 | |
| 122 | S | B | -0.6766 | |
| 123 | T | B | -0.8380 | |
| 124 | K | B | -1.5384 | |
| 125 | G | B | -1.6946 | |
| 126 | P | B | -0.8338 | |
| 127 | S | B | -0.5499 | |
| 128 | V | B | 0.0000 | |
| 129 | F | B | 0.0000 | |
| 130 | P | B | -1.1470 | |
| 131 | L | B | 0.0000 | |
| 132 | A | B | -0.9218 | |
| 133 | P | B | 0.0000 | |
| 134 | S | B | -0.6790 | |
| 135 | S | B | -0.7434 | |
| 136 | K | B | -1.1173 | |
| 137 | S | B | 0.0000 | |
| 138 | T | B | -0.6950 | |
| 139 | S | B | -0.6578 | |
| 140 | G | B | -0.7949 | |
| 141 | G | B | -0.8662 | |
| 142 | T | B | -0.5918 | |
| 143 | A | B | 0.0000 | |
| 144 | A | B | 0.0000 | |
| 145 | L | B | 0.0000 | |
| 146 | G | B | 0.0000 | |
| 147 | C | B | 0.0000 | |
| 148 | L | B | 0.0000 | |
| 149 | V | B | 0.0000 | |
| 150 | K | B | 0.0000 | |
| 151 | D | B | -0.6380 | |
| 152 | Y | B | 0.0000 | |
| 153 | F | B | 0.0000 | |
| 154 | P | B | 0.0000 | |
| 155 | E | B | -0.4114 | |
| 156 | P | B | -0.6841 | |
| 157 | V | B | -0.5403 | |
| 158 | T | B | -0.7054 | |
| 159 | V | B | -0.4192 | |
| 160 | S | B | -0.4413 | |
| 161 | W | B | 0.0000 | |
| 162 | N | B | -0.9124 | |
| 163 | S | B | -0.6896 | |
| 164 | G | B | -0.5199 | |
| 165 | A | B | -0.2309 | |
| 166 | L | B | -0.0033 | |
| 167 | T | B | -0.1603 | |
| 168 | S | B | -0.1583 | |
| 169 | G | B | -0.1744 | |
| 170 | V | B | 0.1863 | |
| 171 | H | B | -0.2361 | |
| 172 | T | B | -0.0448 | |
| 173 | F | B | 0.0000 | |
| 174 | P | B | -0.1413 | |
| 175 | A | B | 0.3041 | |
| 176 | V | B | 0.5010 | |
| 177 | L | B | 1.0568 | |
| 178 | Q | B | 0.1987 | |
| 179 | S | B | -0.0958 | |
| 180 | S | B | -0.2492 | |
| 181 | G | B | -0.0301 | |
| 182 | L | B | -0.0578 | |
| 183 | Y | B | 0.3883 | |
| 184 | S | B | 0.0000 | |
| 185 | L | B | 0.0000 | |
| 186 | S | B | 0.0000 | |
| 187 | S | B | 0.0000 | |
| 188 | V | B | 0.0000 | |
| 189 | V | B | 0.0000 | |
| 190 | T | B | -0.1158 | |
| 191 | V | B | 0.0000 | |
| 192 | P | B | -0.5903 | |
| 193 | S | B | -0.5271 | |
| 194 | S | B | -0.5336 | |
| 195 | S | B | -0.5184 | |
| 196 | L | B | -0.7604 | |
| 197 | G | B | -1.1002 | |
| 198 | T | B | -0.6861 | |
| 199 | Q | B | -1.2394 | |
| 200 | T | B | -1.2206 | |
| 201 | Y | B | 0.0000 | |
| 202 | I | B | -1.4733 | |
| 203 | C | B | 0.0000 | |
| 204 | N | B | -1.5780 | |
| 205 | V | B | 0.0000 | |
| 206 | N | B | -2.2519 | |
| 207 | H | B | 0.0000 | |
| 208 | K | B | -2.8057 | |
| 209 | P | B | -1.6266 | |
| 210 | S | B | -1.9944 | |
| 211 | N | B | -2.5099 | |
| 212 | T | B | -2.2163 | |
| 213 | K | B | -2.8726 | |
| 214 | V | B | -1.8665 | |
| 215 | D | B | -2.6225 | |
| 216 | K | B | -2.2390 | |
| 217 | K | B | -2.5941 | |
| 218 | V | B | 0.0000 | |
| 219 | E | B | -2.5181 | |
| 220 | P | B | -1.1285 | |
| 1 | T | C | -0.8668 | |
| 2 | Q | C | -1.4358 | |
| 3 | V | C | -0.1772 | |
| 4 | C | C | 0.0000 | |
| 5 | T | C | -0.0904 | |
| 6 | G | C | 0.0000 | |
| 7 | T | C | 0.0000 | |
| 8 | D | C | -1.7387 | |
| 9 | M | C | 0.0000 | |
| 10 | K | C | -1.3578 | |
| 11 | L | C | -0.3608 | |
| 12 | R | C | -1.0671 | |
| 13 | L | C | 0.7520 | |
| 14 | P | C | 0.1503 | |
| 15 | A | C | -0.1531 | |
| 16 | S | C | 0.0000 | |
| 17 | P | C | -0.8145 | |
| 18 | E | C | -2.0337 | |
| 19 | T | C | 0.0000 | |
| 20 | H | C | 0.0000 | |
| 21 | L | C | -0.9814 | |
| 22 | D | C | -1.3413 | |
| 23 | M | C | 0.0000 | |
| 24 | L | C | 0.0000 | |
| 25 | R | C | -2.1800 | |
| 26 | H | C | -1.5147 | |
| 27 | L | C | 0.0000 | |
| 28 | Y | C | 0.0000 | |
| 29 | Q | C | -2.3861 | |
| 30 | G | C | -1.7539 | |
| 31 | C | C | 0.0000 | |
| 32 | Q | C | -1.5860 | |
| 33 | V | C | -0.3460 | |
| 34 | V | C | 0.0000 | |
| 35 | Q | C | 0.0000 | |
| 36 | G | C | -0.4664 | |
| 37 | N | C | 0.0000 | |
| 38 | L | C | 0.0000 | |
| 39 | E | C | 0.0000 | |
| 40 | L | C | 0.0000 | |
| 41 | T | C | 0.0000 | |
| 42 | Y | C | 0.1707 | |
| 43 | L | C | 0.0000 | |
| 44 | P | C | -0.8903 | |
| 45 | T | C | -1.3007 | |
| 46 | N | C | -1.5119 | |
| 47 | A | C | -0.9514 | |
| 48 | S | C | -0.8117 | |
| 49 | L | C | 0.0000 | |
| 50 | S | C | -0.9997 | |
| 51 | F | C | 0.0000 | |
| 52 | L | C | 0.0000 | |
| 53 | Q | C | -1.8471 | |
| 54 | D | C | -2.2156 | |
| 55 | I | C | 0.0000 | |
| 56 | Q | C | -1.6380 | |
| 57 | E | C | 0.0000 | |
| 58 | V | C | 0.0000 | |
| 59 | Q | C | -0.2904 | |
| 60 | G | C | 0.0000 | |
| 61 | Y | C | 0.0000 | |
| 62 | V | C | 0.0000 | |
| 63 | L | C | 0.0000 | |
| 64 | I | C | 0.0000 | |
| 65 | A | C | 0.0000 | |
| 66 | H | C | -0.9054 | |
| 67 | N | C | 0.0000 | |
| 68 | Q | C | -1.4517 | |
| 69 | V | C | 0.0000 | |
| 70 | R | C | -1.6694 | |
| 71 | Q | C | -1.3098 | |
| 72 | V | C | 0.0000 | |
| 73 | P | C | -0.9065 | |
| 74 | L | C | 0.0000 | |
| 75 | Q | C | -1.6476 | |
| 76 | R | C | -2.6931 | |
| 77 | L | C | 0.0000 | |
| 78 | R | C | -1.0325 | |
| 79 | I | C | 0.0000 | |
| 80 | V | C | 0.0000 | |
| 81 | R | C | 0.0000 | |
| 82 | G | C | 0.0000 | |
| 83 | T | C | -0.6097 | |
| 84 | Q | C | -1.4366 | |
| 85 | L | C | -1.7750 | |
| 86 | F | C | 0.0000 | |
| 87 | E | C | -3.1066 | |
| 88 | D | C | -3.2024 | |
| 89 | N | C | -2.5209 | |
| 90 | Y | C | 0.0000 | |
| 91 | A | C | 0.0000 | |
| 92 | L | C | 0.0000 | |
| 93 | A | C | 0.0000 | |
| 94 | V | C | 0.0000 | |
| 95 | L | C | 0.0000 | |
| 96 | D | C | -1.9546 | |
| 97 | N | C | 0.0000 | |
| 98 | G | C | -1.7261 | |
| 99 | D | C | -1.6030 | |
| 100 | P | C | -0.4098 | |
| 101 | L | C | 1.0651 | |
| 111 | S | C | -0.4565 | |
| 112 | P | C | -0.8360 | |
| 113 | G | C | 0.0000 | |
| 114 | G | C | 0.0000 | |
| 115 | L | C | 0.0000 | |
| 116 | R | C | -1.4620 | |
| 117 | E | C | 0.0000 | |
| 118 | L | C | 0.0000 | |
| 119 | Q | C | 0.0000 | |
| 120 | L | C | 0.0000 | |
| 121 | R | C | -1.4733 | |
| 122 | S | C | -1.1582 | |
| 123 | L | C | 0.0000 | |
| 124 | T | C | 0.0000 | |
| 125 | E | C | 0.0000 | |
| 126 | I | C | 0.0000 | |
| 127 | L | C | -0.9108 | |
| 128 | K | C | -1.6030 | |
| 129 | G | C | -0.9589 | |
| 130 | G | C | 0.0000 | |
| 131 | V | C | 0.0000 | |
| 132 | L | C | 0.0000 | |
| 133 | I | C | 0.0000 | |
| 134 | Q | C | -1.4070 | |
| 135 | R | C | -2.7125 | |
| 136 | N | C | 0.0000 | |
| 137 | P | C | -1.8754 | |
| 138 | Q | C | 0.0000 | |
| 139 | L | C | 0.0000 | |
| 140 | C | C | 0.0000 | |
| 141 | Y | C | 0.0000 | |
| 142 | Q | C | 0.0000 | |
| 143 | D | C | -1.7642 | |
| 144 | T | C | -1.1412 | |
| 145 | I | C | 0.0000 | |
| 146 | L | C | -0.7910 | |
| 147 | W | C | 0.0000 | |
| 148 | K | C | -1.7972 | |
| 149 | D | C | 0.0000 | |
| 150 | I | C | 0.0000 | |
| 151 | F | C | 0.0000 | |
| 152 | H | C | -1.7341 | |
| 153 | K | C | -2.6760 | |
| 154 | N | C | -2.1689 | |
| 155 | N | C | 0.0000 | |
| 156 | Q | C | -1.0471 | |
| 157 | L | C | 0.6958 | |
| 158 | A | C | 0.1883 | |
| 159 | L | C | 0.9940 | |
| 160 | T | C | 0.5887 | |
| 161 | L | C | 0.8090 | |
| 162 | I | C | -0.1687 | |
| 163 | D | C | -1.2314 | |
| 164 | T | C | -1.6241 | |
| 165 | N | C | -2.1323 | |
| 166 | R | C | -1.7725 | |
| 167 | S | C | -0.9778 | |
| 168 | R | C | -1.0750 | |
| 169 | A | C | -0.6158 | |
| 170 | C | C | -0.8007 | |
| 171 | H | C | -1.3268 | |
| 172 | P | C | -1.0884 | |
| 173 | C | C | -1.0904 | |
| 174 | S | C | -1.0466 | |
| 175 | P | C | -0.4028 | |
| 176 | M | C | 0.1178 | |
| 177 | C | C | 0.0000 | |
| 178 | K | C | -1.7373 | |
| 179 | G | C | -1.1954 | |
| 180 | S | C | -1.0921 | |
| 181 | R | C | -1.2181 | |
| 182 | C | C | 0.0000 | |
| 183 | W | C | 0.0000 | |
| 184 | G | C | 0.0000 | |
| 185 | E | C | -2.4092 | |
| 186 | S | C | -1.5417 | |
| 187 | S | C | -1.1384 | |
| 188 | E | C | -2.1377 | |
| 189 | D | C | 0.0000 | |
| 190 | C | C | -1.2172 | |
| 191 | Q | C | 0.0000 | |
| 192 | S | C | -0.6715 | |
| 193 | L | C | -0.5107 | |
| 194 | T | C | 0.0000 | |
| 195 | R | C | -0.8657 | |
| 196 | T | C | -0.3573 | |
| 197 | V | C | 0.2456 | |
| 198 | C | C | 0.0330 | |
| 199 | A | C | 0.0359 | |
| 200 | G | C | -0.4691 | |
| 201 | G | C | -0.6509 | |
| 202 | C | C | -0.7522 | |
| 203 | A | C | -1.0527 | |
| 204 | R | C | 0.0000 | |
| 205 | C | C | 0.0000 | |
| 206 | K | C | -1.2400 | |
| 207 | G | C | -0.4243 | |
| 208 | P | C | 0.1273 | |
| 209 | L | C | 0.8843 | |
| 210 | P | C | 0.0323 | |
| 211 | T | C | -0.0629 | |
| 212 | D | C | -0.3919 | |
| 213 | C | C | -0.7407 | |
| 214 | C | C | -1.3537 | |
| 215 | H | C | -1.8795 | |
| 216 | E | C | -2.1329 | |
| 217 | Q | C | -1.2482 | |
| 218 | C | C | 0.0000 | |
| 219 | A | C | 0.0000 | |
| 220 | A | C | 0.0000 | |
| 221 | G | C | 0.0000 | |
| 222 | C | C | 0.0000 | |
| 223 | T | C | -0.7547 | |
| 224 | G | C | 0.0000 | |
| 225 | P | C | -1.7668 | |
| 226 | K | C | -2.4384 | |
| 227 | H | C | -1.9130 | |
| 228 | S | C | -1.2547 | |
| 229 | D | C | -1.1471 | |
| 230 | C | C | -0.7210 | |
| 231 | L | C | 0.1492 | |
| 232 | A | C | 0.0000 | |
| 233 | C | C | 0.0000 | |
| 234 | L | C | -0.2032 | |
| 235 | H | C | -0.3437 | |
| 236 | F | C | -0.3386 | |
| 237 | N | C | -0.7561 | |
| 238 | H | C | -0.5719 | |
| 239 | S | C | -0.4624 | |
| 240 | G | C | -0.6841 | |
| 241 | I | C | -0.5114 | |
| 242 | C | C | 0.0000 | |
| 243 | E | C | -0.7569 | |
| 244 | L | C | 0.0106 | |
| 245 | H | C | -0.7521 | |
| 246 | C | C | 0.0000 | |
| 247 | P | C | -0.6715 | |
| 248 | A | C | -0.0478 | |
| 249 | L | C | 0.1162 | |
| 250 | V | C | 0.3749 | |
| 251 | T | C | 0.5842 | |
| 252 | Y | C | 1.1041 | |
| 253 | N | C | -0.0324 | |
| 254 | T | C | -0.5003 | |
| 255 | D | C | -1.5084 | |
| 256 | T | C | -0.4973 | |
| 257 | F | C | 0.8517 | |
| 258 | E | C | -0.8115 | |
| 259 | S | C | 0.0949 | |
| 260 | M | C | 0.5411 | |
| 261 | P | C | -0.2226 | |
| 262 | N | C | -0.6389 | |
| 263 | P | C | -1.2056 | |
| 264 | E | C | -2.0578 | |
| 265 | G | C | -0.9771 | |
| 266 | R | C | -0.6637 | |
| 267 | Y | C | 0.0000 | |
| 268 | T | C | 0.0570 | |
| 269 | F | C | 0.1823 | |
| 270 | G | C | -0.0599 | |
| 271 | A | C | -0.3038 | |
| 272 | S | C | -0.4056 | |
| 273 | C | C | -0.2894 | |
| 274 | V | C | 0.1551 | |
| 275 | T | C | -0.1932 | |
| 276 | A | C | 0.3449 | |
| 277 | C | C | 0.4601 | |
| 278 | P | C | 0.7173 | |
| 279 | Y | C | 1.0234 | |
| 280 | N | C | 0.0000 | |
| 281 | Y | C | 0.8546 | |
| 282 | L | C | 0.0000 | |
| 283 | S | C | 0.0000 | |
| 284 | T | C | 0.0000 | |
| 285 | D | C | -1.0326 | |
| 286 | V | C | 1.1696 | |
| 287 | G | C | 0.0000 | |
| 288 | S | C | 0.3892 | |
| 289 | C | C | 0.5223 | |
| 290 | T | C | 0.7244 | |
| 291 | L | C | 1.3994 | |
| 292 | V | C | 2.1905 | |
| 293 | C | C | 0.5246 | |
| 294 | P | C | 0.4498 | |
| 295 | L | C | 0.9569 | |
| 296 | H | C | -0.9642 | |
| 297 | N | C | -1.3517 | |
| 298 | Q | C | -1.1101 | |
| 299 | E | C | -0.6736 | |
| 300 | V | C | -0.0641 | |
| 301 | T | C | -0.0293 | |
| 302 | A | C | -0.0611 | |
| 306 | T | C | 0.0237 | |
| 307 | Q | C | -0.3361 | |
| 308 | R | C | -1.2329 | |
| 309 | C | C | 0.0000 | |
| 310 | E | C | -2.5771 | |
| 311 | K | C | -2.9059 | |
| 312 | C | C | -1.8302 | |
| 313 | S | C | -1.7490 | |
| 314 | K | C | -2.0089 | |
| 315 | P | C | -1.5640 | |
| 316 | C | C | -1.0732 | |
| 317 | A | C | -1.0816 | |
| 318 | R | C | -1.3380 | |
| 319 | V | C | -0.1126 | |
| 320 | C | C | -0.4107 | |
| 321 | Y | C | -0.4662 | |
| 322 | G | C | 0.0000 | |
| 323 | L | C | 0.0000 | |
| 324 | G | C | -1.8828 | |
| 325 | M | C | -1.7203 | |
| 326 | E | C | -2.9168 | |
| 327 | H | C | -2.5512 | |
| 328 | L | C | 0.0000 | |
| 329 | R | C | -3.6359 | |
| 330 | E | C | -3.2872 | |
| 331 | V | C | -2.0771 | |
| 332 | R | C | -2.2885 | |
| 333 | A | C | 0.0000 | |
| 334 | V | C | 0.0000 | |
| 335 | T | C | -0.5237 | |
| 336 | S | C | -0.5647 | |
| 337 | A | C | -0.3431 | |
| 338 | N | C | 0.0000 | |
| 339 | I | C | 0.0000 | |
| 340 | Q | C | -1.8585 | |
| 341 | E | C | -1.5130 | |
| 342 | F | C | 0.0000 | |
| 343 | A | C | -1.3812 | |
| 344 | G | C | -1.3742 | |
| 345 | C | C | -1.5915 | |
| 346 | K | C | -2.6893 | |
| 347 | K | C | -1.6568 | |
| 348 | I | C | 0.0000 | |
| 349 | F | C | 0.4749 | |
| 350 | G | C | 0.0000 | |
| 351 | S | C | 0.0000 | |
| 352 | L | C | 0.0000 | |
| 353 | A | C | 0.0000 | |
| 354 | F | C | 0.0000 | |
| 355 | L | C | -0.5516 | |
| 356 | P | C | -0.8690 | |
| 357 | E | C | -1.3871 | |
| 358 | S | C | 0.0000 | |
| 359 | F | C | -1.1089 | |
| 360 | D | C | -2.0595 | |
| 365 | S | C | -1.2353 | |
| 366 | N | C | -1.6375 | |
| 367 | T | C | -0.9785 | |
| 368 | A | C | -0.7478 | |
| 369 | P | C | -1.0571 | |
| 370 | L | C | 0.0000 | |
| 371 | Q | C | -1.8856 | |
| 372 | P | C | -1.9731 | |
| 373 | E | C | -2.6814 | |
| 374 | Q | C | -2.2197 | |
| 375 | L | C | 0.0000 | |
| 376 | Q | C | -2.5282 | |
| 377 | V | C | -1.6522 | |
| 378 | F | C | 0.0000 | |
| 379 | E | C | -2.6565 | |
| 380 | T | C | -2.1502 | |
| 381 | L | C | 0.0000 | |
| 382 | E | C | -2.5634 | |
| 383 | E | C | 0.0000 | |
| 384 | I | C | 0.0000 | |
| 385 | T | C | 0.0000 | |
| 386 | G | C | 0.0000 | |
| 387 | Y | C | 0.3195 | |
| 388 | L | C | 0.0000 | |
| 389 | Y | C | 0.1628 | |
| 390 | I | C | 0.0000 | |
| 391 | S | C | -0.3507 | |
| 392 | A | C | -0.7328 | |
| 393 | W | C | 0.0000 | |
| 394 | P | C | 0.0000 | |
| 395 | D | C | -1.9694 | |
| 396 | S | C | -1.0410 | |
| 397 | L | C | -0.6762 | |
| 398 | P | C | -0.5747 | |
| 399 | D | C | 0.0000 | |
| 400 | L | C | 0.0000 | |
| 401 | S | C | -0.5690 | |
| 402 | V | C | -1.0793 | |
| 403 | F | C | 0.0000 | |
| 404 | Q | C | -1.2350 | |
| 405 | N | C | -1.8827 | |
| 406 | L | C | 0.0000 | |
| 407 | Q | C | -1.6568 | |
| 408 | V | C | -0.8791 | |
| 409 | I | C | 0.0000 | |
| 410 | R | C | -0.0922 | |
| 411 | G | C | 0.0000 | |
| 412 | R | C | 0.0000 | |
| 413 | I | C | 0.6418 | |
| 414 | L | C | 0.0674 | |
| 415 | H | C | -0.2439 | |
| 416 | N | C | -1.0674 | |
| 417 | G | C | -0.6763 | |
| 418 | A | C | 0.0000 | |
| 419 | Y | C | 0.0000 | |
| 420 | S | C | 0.0000 | |
| 421 | L | C | 0.0000 | |
| 422 | T | C | 0.0000 | |
| 423 | L | C | 0.0000 | |
| 424 | Q | C | -0.7380 | |
| 425 | G | C | -1.0444 | |
| 426 | L | C | 0.0000 | |
| 427 | G | C | -1.5040 | |
| 428 | I | C | 0.0000 | |
| 429 | S | C | -0.6637 | |
| 430 | W | C | -0.0728 | |
| 431 | L | C | 0.0000 | |
| 432 | G | C | 0.0000 | |
| 433 | L | C | 0.0000 | |
| 434 | R | C | -0.7775 | |
| 435 | S | C | -1.0275 | |
| 436 | L | C | 0.0000 | |
| 437 | R | C | -1.1164 | |
| 438 | E | C | 0.0000 | |
| 439 | L | C | 0.0000 | |
| 440 | G | C | 0.0000 | |
| 441 | S | C | -0.1854 | |
| 442 | G | C | -0.1552 | |
| 443 | L | C | 0.0000 | |
| 444 | A | C | 0.0000 | |
| 445 | L | C | 0.0000 | |
| 446 | I | C | 0.0000 | |
| 447 | H | C | 0.0000 | |
| 448 | H | C | -1.2695 | |
| 449 | N | C | 0.0000 | |
| 450 | T | C | -1.1336 | |
| 451 | H | C | -1.6206 | |
| 452 | L | C | 0.0000 | |
| 453 | C | C | 0.0000 | |
| 454 | F | C | 0.0000 | |
| 455 | V | C | 0.0000 | |
| 456 | H | C | -1.3890 | |
| 457 | T | C | -1.0100 | |
| 458 | V | C | 0.0000 | |
| 459 | P | C | 0.0000 | |
| 460 | W | C | 0.0000 | |
| 461 | D | C | -2.4852 | |
| 462 | Q | C | -2.2359 | |
| 463 | L | C | 0.0000 | |
| 464 | F | C | -1.3823 | |
| 465 | R | C | -1.3184 | |
| 466 | N | C | -1.2880 | |
| 467 | P | C | -1.0662 | |
| 468 | H | C | -1.0417 | |
| 469 | Q | C | 0.0000 | |
| 470 | A | C | -0.5330 | |
| 471 | L | C | -0.3701 | |
| 472 | L | C | 0.0000 | |
| 473 | H | C | -1.1374 | |
| 474 | T | C | -0.9218 | |
| 475 | A | C | -0.7717 | |
| 476 | N | C | -1.3510 | |
| 477 | R | C | -1.9773 | |
| 478 | P | C | -2.3429 | |
| 479 | E | C | -3.3877 | |
| 480 | D | C | -3.4048 | |
| 481 | E | C | -3.5800 | |
| 482 | C | C | 0.0000 | |
| 483 | V | C | -0.7631 | |
| 484 | G | C | -2.1074 | |
| 485 | E | C | -2.4542 | |
| 486 | G | C | -0.9864 | |
| 487 | L | C | -0.4519 | |
| 488 | A | C | -0.1785 | |
| 489 | C | C | -0.6962 | |
| 490 | H | C | -0.9649 | |
| 491 | Q | C | -1.8589 | |
| 492 | L | C | 0.0000 | |
| 493 | C | C | 0.0000 | |
| 494 | A | C | -1.7389 | |
| 495 | R | C | -2.4349 | |
| 496 | G | C | -1.8297 | |
| 497 | H | C | -1.3603 | |
| 498 | C | C | 0.0000 | |
| 499 | W | C | 0.0000 | |
| 500 | G | C | 0.0000 | |
| 501 | P | C | -0.0359 | |
| 502 | G | C | -0.5322 | |
| 503 | P | C | -1.0564 | |
| 504 | T | C | -0.9610 | |
| 505 | Q | C | 0.0000 | |
| 506 | C | C | -1.1534 | |
| 507 | V | C | -0.9252 | |
| 508 | N | C | -1.5128 | |
| 509 | C | C | -1.5325 | |
| 510 | S | C | -1.4083 | |
| 511 | Q | C | -1.6594 | |
| 512 | F | C | -1.8024 | |
| 513 | L | C | -1.4897 | |
| 514 | R | C | -1.5896 | |
| 515 | G | C | -1.3869 | |
| 516 | Q | C | -1.9165 | |
| 517 | E | C | -1.9412 | |
| 518 | C | C | 0.0000 | |
| 519 | V | C | 0.0000 | |
| 520 | E | C | -3.0411 | |
| 521 | E | C | -2.7795 | |
| 522 | C | C | 0.0000 | |
| 523 | R | C | -0.6486 | |
| 524 | V | C | 0.3074 | |
| 525 | L | C | 0.4226 | |
| 526 | Q | C | -0.8387 | |
| 527 | G | C | 0.0456 | |
| 528 | L | C | 0.9387 | |
| 529 | P | C | 0.0004 | |
| 530 | R | C | -0.1630 | |
| 531 | E | C | 0.0000 | |
| 532 | Y | C | 0.7244 | |
| 533 | V | C | -0.1100 | |
| 534 | N | C | -1.0074 | |
| 535 | A | C | -1.0019 | |
| 536 | R | C | -1.7124 | |
| 537 | H | C | -1.1727 | |
| 538 | C | C | 0.0000 | |
| 539 | L | C | -0.2924 | |
| 540 | P | C | -0.3188 | |
| 541 | C | C | 0.0000 | |
| 542 | H | C | -0.6369 | |
| 543 | P | C | -0.6526 | |
| 544 | E | C | -0.6505 | |
| 545 | C | C | 0.0000 | |
| 546 | Q | C | -0.9500 | |
| 547 | P | C | -0.4781 | |
| 548 | Q | C | -0.7397 | |
| 549 | N | C | -1.4890 | |
| 550 | G | C | -0.8143 | |
| 551 | S | C | -0.0724 | |
| 552 | V | C | 1.0400 | |
| 553 | T | C | 0.0000 | |
| 554 | C | C | 0.0000 | |
| 555 | F | C | 2.1408 | |
| 556 | G | C | 0.0000 | |
| 557 | P | C | 0.2376 | |
| 558 | E | C | 0.0000 | |
| 559 | A | C | 0.0000 | |
| 560 | D | C | 0.0844 | |
| 561 | Q | C | 0.5856 | |
| 562 | C | C | 0.6705 | |
| 563 | V | C | 1.1221 | |
| 564 | A | C | 0.0893 | |
| 565 | C | C | -0.2123 | |
| 566 | A | C | -0.5969 | |
| 567 | H | C | -1.1723 | |
| 568 | Y | C | -0.7352 | |
| 569 | K | C | -0.7724 | |
| 570 | D | C | 0.0000 | |
| 571 | P | C | 0.0000 | |
| 572 | P | C | 0.0000 | |
| 573 | F | C | 0.0000 | |
| 574 | C | C | 0.0000 | |
| 575 | V | C | -0.5354 | |
| 576 | A | C | -0.9819 | |
| 577 | R | C | -1.7655 | |
| 578 | C | C | -0.3436 | |
| 579 | P | C | 0.1144 | |
| 580 | S | C | 0.6024 | |
| 591 | I | C | 2.0841 | |
| 592 | W | C | 2.2832 | |
| 593 | K | C | 0.0000 | |
| 594 | F | C | 0.4692 | |
| 595 | P | C | -0.9529 | |
| 596 | D | C | -1.8283 | |
| 597 | E | C | -2.8920 | |
| 598 | E | C | -2.8670 | |
| 599 | G | C | -1.7127 | |
| 600 | A | C | 0.0000 | |
| 601 | C | C | 0.0000 | |
| 602 | Q | C | -0.1042 | |
| 603 | P | C | 0.9756 | |
| 604 | C | C | 1.1875 | |
| 605 | P | C | 0.7445 | |
| 606 | I | C | 1.4696 | |
| 607 | N | C | 0.1591 |
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