| 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 (00:00:02)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:17:25)
[INFO] Main: Simulation completed successfully. (00:17:44)
|
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 | -2.1929 | |
| 2 | I | A | -1.8551 | |
| 3 | Q | A | -2.1144 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -1.3783 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.8421 | |
| 8 | P | A | -0.5838 | |
| 9 | S | A | -0.8249 | |
| 10 | S | A | -0.7526 | |
| 11 | L | A | -0.6112 | |
| 12 | S | A | -1.0790 | |
| 13 | A | A | -1.0217 | |
| 14 | S | A | -0.7898 | |
| 15 | V | A | 0.3408 | |
| 16 | G | A | -0.4385 | |
| 17 | D | A | -1.6728 | |
| 18 | R | A | -2.3556 | |
| 19 | V | A | 0.0000 | |
| 20 | T | A | -0.6602 | |
| 21 | I | A | 0.0000 | |
| 22 | T | A | -0.7878 | |
| 23 | C | A | 0.0000 | |
| 24 | R | A | -2.8547 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -2.2743 | |
| 27 | Q | A | -2.8609 | |
| 28 | D | A | -2.6697 | |
| 29 | V | A | 0.0000 | |
| 30 | N | A | 0.0000 | |
| 31 | T | A | -0.5169 | |
| 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 | -1.9440 | |
| 40 | P | A | -1.5467 | |
| 41 | G | A | -1.7792 | |
| 42 | K | A | -2.6357 | |
| 43 | A | A | -1.7360 | |
| 44 | P | A | 0.0000 | |
| 45 | K | A | -1.9230 | |
| 46 | L | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | Y | A | 0.5140 | |
| 50 | S | A | 0.1377 | |
| 51 | A | A | 0.0000 | |
| 52 | S | A | -0.0190 | |
| 53 | F | A | 0.6649 | |
| 54 | L | A | 0.8238 | |
| 55 | Y | A | 0.2725 | |
| 56 | S | A | -0.1204 | |
| 57 | G | A | -0.3795 | |
| 58 | V | A | -0.2475 | |
| 59 | P | A | -0.3016 | |
| 60 | S | A | -0.3665 | |
| 61 | R | A | -0.7490 | |
| 62 | F | A | 0.0000 | |
| 63 | S | A | -0.1475 | |
| 64 | G | A | -0.2443 | |
| 65 | S | A | -0.8762 | |
| 66 | R | A | -1.5985 | |
| 67 | S | A | -1.2783 | |
| 68 | G | A | -1.6425 | |
| 69 | T | A | -2.0436 | |
| 70 | D | A | -1.9263 | |
| 71 | F | A | 0.0000 | |
| 72 | T | A | -0.8039 | |
| 73 | L | A | 0.0000 | |
| 74 | T | A | -0.6499 | |
| 75 | I | A | 0.0000 | |
| 76 | S | A | -1.4738 | |
| 77 | S | A | -1.0607 | |
| 78 | L | A | 0.0000 | |
| 79 | Q | A | -1.0533 | |
| 80 | P | A | -1.6936 | |
| 81 | E | A | -2.2306 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | T | A | -0.8174 | |
| 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 | -0.2237 | |
| 93 | T | A | -0.4299 | |
| 94 | T | A | 0.0000 | |
| 95 | P | A | -0.5681 | |
| 96 | P | A | 0.0000 | |
| 97 | T | A | -0.6479 | |
| 98 | F | A | -0.4686 | |
| 99 | G | A | 0.0000 | |
| 100 | Q | A | -1.7480 | |
| 101 | G | A | 0.0000 | |
| 102 | T | A | 0.0000 | |
| 103 | K | A | -1.3914 | |
| 104 | V | A | 0.0000 | |
| 105 | E | A | -1.5067 | |
| 106 | I | A | 0.0000 | |
| 107 | K | A | -1.4015 | |
| 108 | R | A | -0.8221 | |
| 109 | T | A | 0.1529 | |
| 110 | V | A | 1.0020 | |
| 111 | A | A | 0.3156 | |
| 112 | A | A | 0.1412 | |
| 113 | P | A | 0.0000 | |
| 114 | S | A | -0.0894 | |
| 115 | V | A | 0.0000 | |
| 116 | F | A | 0.0000 | |
| 117 | I | A | 0.0000 | |
| 118 | F | A | 0.0000 | |
| 119 | P | A | -0.6488 | |
| 120 | P | A | 0.0000 | |
| 121 | S | A | -1.6230 | |
| 122 | D | A | -3.0155 | |
| 123 | E | A | -3.0312 | |
| 124 | Q | A | 0.0000 | |
| 125 | L | A | -2.3040 | |
| 126 | K | A | -2.8095 | |
| 127 | S | A | -1.7780 | |
| 128 | G | A | -1.3762 | |
| 129 | T | A | -1.0100 | |
| 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 | -0.8490 | |
| 139 | F | A | 0.0000 | |
| 140 | Y | A | 0.0000 | |
| 141 | P | A | -1.6265 | |
| 142 | R | A | -2.8486 | |
| 143 | E | A | -3.2215 | |
| 144 | A | A | -2.3583 | |
| 145 | K | A | -2.4562 | |
| 146 | V | A | -1.2047 | |
| 147 | Q | A | -0.7650 | |
| 148 | W | A | 0.0000 | |
| 149 | K | A | -1.0543 | |
| 150 | V | A | 0.0000 | |
| 151 | D | A | -2.3162 | |
| 152 | N | A | -1.7781 | |
| 153 | A | A | -0.3826 | |
| 154 | L | A | 0.6387 | |
| 155 | Q | A | -0.1463 | |
| 156 | S | A | -0.4495 | |
| 157 | G | A | -0.8475 | |
| 158 | N | A | -0.7019 | |
| 159 | S | A | -1.0930 | |
| 160 | Q | A | -1.4169 | |
| 161 | E | A | -2.1388 | |
| 162 | S | A | -1.0550 | |
| 163 | V | A | -1.0528 | |
| 164 | T | A | -1.1837 | |
| 165 | E | A | -2.3651 | |
| 166 | Q | A | 0.0000 | |
| 167 | D | A | -2.1949 | |
| 168 | S | A | -2.4213 | |
| 169 | K | A | -2.7159 | |
| 170 | D | A | -1.9912 | |
| 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 | -0.6253 | |
| 179 | L | A | 0.0000 | |
| 180 | T | A | -0.3946 | |
| 181 | L | A | -0.6511 | |
| 182 | S | A | -1.0678 | |
| 183 | K | A | -2.1145 | |
| 184 | A | A | -1.9427 | |
| 185 | D | A | -2.5100 | |
| 186 | Y | A | 0.0000 | |
| 187 | E | A | -3.7014 | |
| 188 | K | A | -3.7136 | |
| 189 | H | A | -3.2317 | |
| 190 | K | A | -3.5149 | |
| 191 | V | A | -1.8206 | |
| 192 | Y | A | 0.0000 | |
| 193 | A | A | 0.0000 | |
| 194 | C | A | 0.0000 | |
| 195 | E | A | -0.7558 | |
| 196 | V | A | 0.0000 | |
| 197 | T | A | -1.1227 | |
| 198 | H | A | 0.0000 | |
| 199 | Q | A | -1.6199 | |
| 200 | G | A | -0.1466 | |
| 201 | L | A | -0.0488 | |
| 202 | S | A | -0.3907 | |
| 203 | S | A | -0.3615 | |
| 204 | P | A | -0.4991 | |
| 205 | V | A | 0.1262 | |
| 206 | T | A | -0.3598 | |
| 207 | K | A | -0.6326 | |
| 208 | S | A | -0.7897 | |
| 209 | F | A | 0.0000 | |
| 210 | N | A | -2.1856 | |
| 211 | R | A | -2.9132 | |
| 212 | G | A | -2.3149 | |
| 213 | E | A | -2.3411 | |
| 214 | C | A | -0.6243 | |
| 1 | E | B | -2.0206 | |
| 2 | V | B | -1.3056 | |
| 3 | Q | B | -1.2829 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 0.2408 | |
| 6 | E | B | 0.0000 | |
| 7 | S | B | -0.6014 | |
| 8 | G | B | -0.8800 | |
| 9 | G | B | -0.6465 | |
| 10 | G | B | -0.3611 | |
| 11 | L | B | -0.1782 | |
| 12 | V | B | 0.0000 | |
| 13 | Q | B | -1.6952 | |
| 14 | P | B | -1.5430 | |
| 15 | G | B | -1.4682 | |
| 16 | G | B | -1.1821 | |
| 17 | S | B | -1.3095 | |
| 18 | L | B | -1.2319 | |
| 19 | R | B | -2.2230 | |
| 20 | L | B | 0.0000 | |
| 21 | S | B | -0.6015 | |
| 22 | C | B | 0.0000 | |
| 23 | A | B | -0.3684 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -1.0740 | |
| 26 | G | B | -1.2324 | |
| 27 | F | B | -1.2227 | |
| 28 | N | B | -1.9956 | |
| 29 | I | B | 0.0000 | |
| 30 | K | B | -2.4459 | |
| 31 | D | B | -2.2522 | |
| 32 | T | B | 0.0000 | |
| 33 | Y | B | -0.4786 | |
| 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 | -0.8061 | |
| 40 | A | B | -1.1626 | |
| 41 | P | B | -0.9649 | |
| 42 | G | B | -1.4761 | |
| 43 | K | B | -2.4029 | |
| 44 | G | B | -1.6693 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -1.0743 | |
| 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 | -0.4950 | |
| 53 | P | B | 0.0000 | |
| 54 | T | B | -1.3146 | |
| 55 | N | B | -1.3045 | |
| 56 | G | B | -0.9274 | |
| 57 | Y | B | -0.0375 | |
| 58 | T | B | -0.1441 | |
| 59 | R | B | -0.7265 | |
| 60 | Y | B | -1.0542 | |
| 61 | A | B | -1.4948 | |
| 62 | D | B | -2.4588 | |
| 63 | S | B | -1.7415 | |
| 64 | V | B | 0.0000 | |
| 65 | K | B | -2.5421 | |
| 66 | G | B | -1.6044 | |
| 67 | R | B | 0.0000 | |
| 68 | F | B | 0.0000 | |
| 69 | T | B | -0.9923 | |
| 70 | I | B | 0.0000 | |
| 71 | S | B | -0.3403 | |
| 72 | A | B | -0.9675 | |
| 73 | D | B | -1.5113 | |
| 74 | T | B | -1.6405 | |
| 75 | S | B | -1.5709 | |
| 76 | K | B | -2.2253 | |
| 77 | N | B | -1.8023 | |
| 78 | T | B | 0.0000 | |
| 79 | A | B | 0.0000 | |
| 80 | Y | B | 0.0000 | |
| 81 | L | B | 0.0000 | |
| 82 | Q | B | -1.5248 | |
| 83 | M | B | 0.0000 | |
| 84 | N | B | -1.2869 | |
| 85 | S | B | -1.2049 | |
| 86 | L | B | 0.0000 | |
| 87 | R | B | -2.4526 | |
| 88 | A | B | -1.7765 | |
| 89 | E | B | -2.2604 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.7344 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | 0.1693 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.0000 | |
| 96 | C | B | 0.0000 | |
| 97 | S | B | 0.0000 | |
| 98 | R | B | -0.1783 | |
| 99 | W | B | 0.0000 | |
| 100 | G | B | 0.0000 | |
| 101 | G | B | -0.8622 | |
| 102 | D | B | -1.6465 | |
| 103 | G | B | 0.0000 | |
| 104 | F | B | 0.0339 | |
| 105 | Y | B | 0.0000 | |
| 106 | A | B | 0.0000 | |
| 107 | M | B | 0.0000 | |
| 108 | D | B | -0.3568 | |
| 109 | Y | B | -0.5968 | |
| 110 | W | B | -0.6539 | |
| 111 | G | B | 0.0000 | |
| 112 | Q | B | -1.5476 | |
| 113 | G | B | -0.7191 | |
| 114 | T | B | 0.0000 | |
| 115 | L | B | 0.1443 | |
| 116 | V | B | 0.0000 | |
| 117 | T | B | -0.4881 | |
| 118 | V | B | 0.0000 | |
| 119 | S | B | -0.8542 | |
| 120 | S | B | -0.7385 | |
| 121 | A | B | -0.4737 | |
| 122 | S | B | -0.5770 | |
| 123 | T | B | -0.5959 | |
| 124 | K | B | -1.0046 | |
| 125 | G | B | -1.3331 | |
| 126 | P | B | 0.0000 | |
| 127 | S | B | -0.4299 | |
| 128 | V | B | 0.0000 | |
| 129 | F | B | 0.0000 | |
| 130 | P | B | -1.0808 | |
| 131 | L | B | 0.0000 | |
| 132 | A | B | -0.7667 | |
| 133 | P | B | 0.0000 | |
| 134 | S | B | -0.6143 | |
| 135 | S | B | -0.7387 | |
| 136 | K | B | -1.0960 | |
| 137 | S | B | 0.0000 | |
| 138 | T | B | -0.6952 | |
| 139 | S | B | -0.6623 | |
| 140 | G | B | -0.8011 | |
| 141 | G | B | -0.8720 | |
| 142 | T | B | -0.5966 | |
| 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 | -0.3254 | |
| 152 | Y | B | 0.0000 | |
| 153 | F | B | 0.0000 | |
| 154 | P | B | 0.0000 | |
| 155 | E | B | -0.3935 | |
| 156 | P | B | -0.6379 | |
| 157 | V | B | -0.5230 | |
| 158 | T | B | -0.7006 | |
| 159 | V | B | -0.4004 | |
| 160 | S | B | -0.4230 | |
| 161 | W | B | 0.0000 | |
| 162 | N | B | -0.7685 | |
| 163 | S | B | -0.6500 | |
| 164 | G | B | -0.5331 | |
| 165 | A | B | -0.2399 | |
| 166 | L | B | -0.0181 | |
| 167 | T | B | -0.1684 | |
| 168 | S | B | -0.1629 | |
| 169 | G | B | -0.1725 | |
| 170 | V | B | 0.1818 | |
| 171 | H | B | -0.3339 | |
| 172 | T | B | -0.1461 | |
| 173 | F | B | 0.0000 | |
| 174 | P | B | -0.3537 | |
| 175 | A | B | 0.2080 | |
| 176 | V | B | 0.4477 | |
| 177 | L | B | 1.0513 | |
| 178 | Q | B | 0.2693 | |
| 179 | S | B | -0.0829 | |
| 180 | S | B | -0.1990 | |
| 181 | G | B | 0.0186 | |
| 182 | L | B | 0.1470 | |
| 183 | Y | B | 0.4829 | |
| 184 | S | B | 0.2836 | |
| 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 | -0.1182 | |
| 191 | V | B | 0.0000 | |
| 192 | P | B | -0.5950 | |
| 193 | S | B | -0.6124 | |
| 194 | S | B | -0.5291 | |
| 195 | S | B | -0.5014 | |
| 196 | L | B | -0.6360 | |
| 197 | G | B | -0.9703 | |
| 198 | T | B | -0.6608 | |
| 199 | Q | B | -1.1182 | |
| 200 | T | B | -1.0694 | |
| 201 | Y | B | 0.0000 | |
| 202 | I | B | -1.2918 | |
| 203 | C | B | 0.0000 | |
| 204 | N | B | -1.4784 | |
| 205 | V | B | 0.0000 | |
| 206 | N | B | -2.1894 | |
| 207 | H | B | 0.0000 | |
| 208 | K | B | -2.7940 | |
| 209 | P | B | -1.5707 | |
| 210 | S | B | -1.8514 | |
| 211 | N | B | -2.4918 | |
| 212 | T | B | -2.1516 | |
| 213 | K | B | -2.8035 | |
| 214 | V | B | -1.7561 | |
| 215 | D | B | -2.3318 | |
| 216 | K | B | -2.0685 | |
| 217 | K | B | -2.3884 | |
| 218 | V | B | 0.0000 | |
| 219 | E | B | -1.9737 | |
| 220 | P | B | -0.8786 | |
| 1 | T | C | -0.8901 | |
| 2 | Q | C | -1.6137 | |
| 3 | V | C | -0.3442 | |
| 4 | C | C | 0.0000 | |
| 5 | T | C | -0.2240 | |
| 6 | G | C | 0.0000 | |
| 7 | T | C | 0.0000 | |
| 8 | D | C | -2.1872 | |
| 9 | M | C | 0.0000 | |
| 10 | K | C | -1.4981 | |
| 11 | L | C | -0.4865 | |
| 12 | R | C | -1.2211 | |
| 13 | L | C | 0.6846 | |
| 14 | P | C | 0.1076 | |
| 15 | A | C | -0.2127 | |
| 16 | S | C | -0.6103 | |
| 17 | P | C | -0.9272 | |
| 18 | E | C | -2.1275 | |
| 19 | T | C | 0.0000 | |
| 20 | H | C | 0.0000 | |
| 21 | L | C | -1.2135 | |
| 22 | D | C | -1.7214 | |
| 23 | M | C | 0.0000 | |
| 24 | L | C | 0.0000 | |
| 25 | R | C | -2.5234 | |
| 26 | H | C | -1.7396 | |
| 27 | L | C | 0.0000 | |
| 28 | Y | C | 0.0000 | |
| 29 | Q | C | -2.6140 | |
| 30 | G | C | -2.0471 | |
| 31 | C | C | 0.0000 | |
| 32 | Q | C | -1.9427 | |
| 33 | V | C | -0.6539 | |
| 34 | V | C | 0.0000 | |
| 35 | Q | C | -0.2521 | |
| 36 | G | C | -0.7782 | |
| 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 | 0.1534 | |
| 43 | L | C | 0.0000 | |
| 44 | P | C | -0.8975 | |
| 45 | T | C | -1.3611 | |
| 46 | N | C | -1.5035 | |
| 47 | A | C | -1.0112 | |
| 48 | S | C | -0.8980 | |
| 49 | L | C | 0.0000 | |
| 50 | S | C | -1.1260 | |
| 51 | F | C | 0.0000 | |
| 52 | L | C | 0.0000 | |
| 53 | Q | C | -2.1429 | |
| 54 | D | C | -2.7760 | |
| 55 | I | C | 0.0000 | |
| 56 | Q | C | -1.8228 | |
| 57 | E | C | -1.0752 | |
| 58 | V | C | 0.0000 | |
| 59 | Q | C | -0.5502 | |
| 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 | -0.8924 | |
| 67 | N | C | 0.0000 | |
| 68 | Q | C | -1.5036 | |
| 69 | V | C | 0.0000 | |
| 70 | R | C | -1.9171 | |
| 71 | Q | C | -1.8922 | |
| 72 | V | C | 0.0000 | |
| 73 | P | C | -1.1141 | |
| 74 | L | C | 0.0000 | |
| 75 | Q | C | -1.6543 | |
| 76 | R | C | -2.7920 | |
| 77 | L | C | 0.0000 | |
| 78 | R | C | -1.0578 | |
| 79 | I | C | 0.0000 | |
| 80 | V | C | 0.0000 | |
| 81 | R | C | 0.0000 | |
| 82 | G | C | 0.0000 | |
| 83 | T | C | -1.0123 | |
| 84 | Q | C | -2.0184 | |
| 85 | L | C | -1.9600 | |
| 86 | F | C | 0.0000 | |
| 87 | E | C | -3.0811 | |
| 88 | D | C | -3.1808 | |
| 89 | N | C | -2.4006 | |
| 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 | -1.8428 | |
| 97 | N | C | 0.0000 | |
| 98 | G | C | -1.6939 | |
| 99 | D | C | -1.6126 | |
| 100 | P | C | -0.4056 | |
| 101 | L | C | 1.0566 | |
| 111 | S | C | -0.4386 | |
| 112 | P | C | -0.8069 | |
| 113 | G | C | 0.0000 | |
| 114 | G | C | 0.0000 | |
| 115 | L | C | 0.0000 | |
| 116 | R | C | -1.7024 | |
| 117 | E | C | -1.3906 | |
| 118 | L | C | 0.0000 | |
| 119 | Q | C | 0.0000 | |
| 120 | L | C | 0.0000 | |
| 121 | R | C | -1.2991 | |
| 122 | S | C | -1.0571 | |
| 123 | L | C | 0.0000 | |
| 124 | T | C | 0.0000 | |
| 125 | E | C | 0.0000 | |
| 126 | I | C | 0.0000 | |
| 127 | L | C | -1.2060 | |
| 128 | K | C | -2.1244 | |
| 129 | G | C | -1.1495 | |
| 130 | G | C | 0.0000 | |
| 131 | V | C | 0.0000 | |
| 132 | L | C | 0.0000 | |
| 133 | I | C | 0.0000 | |
| 134 | Q | C | -1.3377 | |
| 135 | R | C | -2.6498 | |
| 136 | N | C | 0.0000 | |
| 137 | P | C | -1.7875 | |
| 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 | -1.7681 | |
| 144 | T | C | -1.1432 | |
| 145 | I | C | 0.0000 | |
| 146 | L | C | -0.7798 | |
| 147 | W | C | 0.0000 | |
| 148 | K | C | -1.6695 | |
| 149 | D | C | 0.0000 | |
| 150 | I | C | 0.0000 | |
| 151 | F | C | 0.0000 | |
| 152 | H | C | -1.8587 | |
| 153 | K | C | -2.7121 | |
| 154 | N | C | -2.2524 | |
| 155 | N | C | 0.0000 | |
| 156 | Q | C | -1.0243 | |
| 157 | L | C | 0.7103 | |
| 158 | A | C | 0.2502 | |
| 159 | L | C | 1.2237 | |
| 160 | T | C | 0.7355 | |
| 161 | L | C | 0.9055 | |
| 162 | I | C | -0.1422 | |
| 163 | D | C | -1.2009 | |
| 164 | T | C | -1.6206 | |
| 165 | N | C | -2.1002 | |
| 166 | R | C | -1.7000 | |
| 167 | S | C | -0.8804 | |
| 168 | R | C | -0.8731 | |
| 169 | A | C | -0.5133 | |
| 170 | C | C | -0.7200 | |
| 171 | H | C | -1.2785 | |
| 172 | P | C | -1.0686 | |
| 173 | C | C | -1.0572 | |
| 174 | S | C | -1.0375 | |
| 175 | P | C | -0.3953 | |
| 176 | M | C | 0.0952 | |
| 177 | C | C | 0.0000 | |
| 178 | K | C | -1.7099 | |
| 179 | G | C | -1.1483 | |
| 180 | S | C | -1.0719 | |
| 181 | R | C | -1.2017 | |
| 182 | C | C | 0.0000 | |
| 183 | W | C | 0.0000 | |
| 184 | G | C | 0.0000 | |
| 185 | E | C | -2.3715 | |
| 186 | S | C | -1.5640 | |
| 187 | S | C | -1.2207 | |
| 188 | E | C | -2.1445 | |
| 189 | D | C | 0.0000 | |
| 190 | C | C | -1.1808 | |
| 191 | Q | C | 0.0000 | |
| 192 | S | C | -0.6373 | |
| 193 | L | C | -0.4967 | |
| 194 | T | C | 0.0000 | |
| 195 | R | C | -0.8540 | |
| 196 | T | C | -0.3467 | |
| 197 | V | C | 0.2434 | |
| 198 | C | C | 0.0417 | |
| 199 | A | C | 0.0538 | |
| 200 | G | C | -0.4589 | |
| 201 | G | C | -0.6522 | |
| 202 | C | C | -0.7646 | |
| 203 | A | C | -1.0545 | |
| 204 | R | C | 0.0000 | |
| 205 | C | C | 0.0000 | |
| 206 | K | C | -1.2348 | |
| 207 | G | C | -0.4209 | |
| 208 | P | C | 0.1515 | |
| 209 | L | C | 0.9542 | |
| 210 | P | C | 0.0699 | |
| 211 | T | C | -0.0385 | |
| 212 | D | C | -0.3704 | |
| 213 | C | C | -0.7503 | |
| 214 | C | C | -1.4034 | |
| 215 | H | C | -1.9655 | |
| 216 | E | C | -2.1278 | |
| 217 | Q | C | -1.1478 | |
| 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 | -0.7631 | |
| 224 | G | C | 0.0000 | |
| 225 | P | C | -1.8029 | |
| 226 | K | C | -2.4688 | |
| 227 | H | C | -1.9541 | |
| 228 | S | C | -1.2791 | |
| 229 | D | C | -1.1627 | |
| 230 | C | C | -0.7539 | |
| 231 | L | C | 0.1294 | |
| 232 | A | C | -0.1082 | |
| 233 | C | C | 0.0000 | |
| 234 | L | C | -0.1112 | |
| 235 | H | C | -0.0959 | |
| 236 | F | C | -0.1707 | |
| 237 | N | C | -0.7045 | |
| 238 | H | C | -0.5546 | |
| 239 | S | C | -0.4859 | |
| 240 | G | C | -0.6868 | |
| 241 | I | C | -0.5264 | |
| 242 | C | C | 0.0000 | |
| 243 | E | C | -0.5442 | |
| 244 | L | C | 0.4749 | |
| 245 | H | C | -0.5278 | |
| 246 | C | C | 0.0000 | |
| 247 | P | C | -0.6702 | |
| 248 | A | C | 0.0412 | |
| 249 | L | C | -0.0124 | |
| 250 | V | C | 0.2592 | |
| 251 | T | C | 0.5726 | |
| 252 | Y | C | 1.0639 | |
| 253 | N | C | -0.0569 | |
| 254 | T | C | -0.5133 | |
| 255 | D | C | -1.5142 | |
| 256 | T | C | -0.4996 | |
| 257 | F | C | 0.8304 | |
| 258 | E | C | -0.8256 | |
| 259 | S | C | 0.0805 | |
| 260 | M | C | 0.5633 | |
| 261 | P | C | -0.1963 | |
| 262 | N | C | -0.6092 | |
| 263 | P | C | -1.2012 | |
| 264 | E | C | -2.0698 | |
| 265 | G | C | -1.0422 | |
| 266 | R | C | -0.8293 | |
| 267 | Y | C | 0.0000 | |
| 268 | T | C | -0.0476 | |
| 269 | F | C | 0.0000 | |
| 270 | G | C | -0.2078 | |
| 271 | A | C | -0.3821 | |
| 272 | S | C | -0.4871 | |
| 273 | C | C | -0.3736 | |
| 274 | V | C | -0.0234 | |
| 275 | T | C | -0.3035 | |
| 276 | A | C | 0.2745 | |
| 277 | C | C | 0.3700 | |
| 278 | P | C | 0.7403 | |
| 279 | Y | C | 1.0985 | |
| 280 | N | C | 0.0000 | |
| 281 | Y | C | 0.7766 | |
| 282 | L | C | 0.0000 | |
| 283 | S | C | -0.5146 | |
| 284 | T | C | 0.0000 | |
| 285 | D | C | -1.7482 | |
| 286 | V | C | 0.8234 | |
| 287 | G | C | 0.0000 | |
| 288 | S | C | 0.1687 | |
| 289 | C | C | 0.3158 | |
| 290 | T | C | 0.6148 | |
| 291 | L | C | 1.3519 | |
| 292 | V | C | 1.9269 | |
| 293 | C | C | 0.3698 | |
| 294 | P | C | 0.3222 | |
| 295 | L | C | 0.9227 | |
| 296 | H | C | -0.9973 | |
| 297 | N | C | -1.5196 | |
| 298 | Q | C | -1.2004 | |
| 299 | E | C | -0.7290 | |
| 300 | V | C | 0.0255 | |
| 301 | T | C | 0.0053 | |
| 302 | A | C | -0.0664 | |
| 306 | T | C | 0.0046 | |
| 307 | Q | C | -0.4189 | |
| 308 | R | C | -1.5534 | |
| 309 | C | C | 0.0000 | |
| 310 | E | C | -2.9667 | |
| 311 | K | C | -3.1187 | |
| 312 | C | C | -1.9107 | |
| 313 | S | C | -1.7928 | |
| 314 | K | C | -2.0279 | |
| 315 | P | C | -1.6037 | |
| 316 | C | C | -1.1688 | |
| 317 | A | C | -1.1863 | |
| 318 | R | C | -1.5163 | |
| 319 | V | C | -0.4733 | |
| 320 | C | C | -0.6188 | |
| 321 | Y | C | -0.6512 | |
| 322 | G | C | 0.0000 | |
| 323 | L | C | 0.0000 | |
| 324 | G | C | -1.9568 | |
| 325 | M | C | 0.0000 | |
| 326 | E | C | -2.9930 | |
| 327 | H | C | -2.5946 | |
| 328 | L | C | 0.0000 | |
| 329 | R | C | -3.7026 | |
| 330 | E | C | -3.3074 | |
| 331 | V | C | -2.0907 | |
| 332 | R | C | -2.2901 | |
| 333 | A | C | 0.0000 | |
| 334 | V | C | 0.0000 | |
| 335 | T | C | -0.5156 | |
| 336 | S | C | -0.5512 | |
| 337 | A | C | -0.3491 | |
| 338 | N | C | 0.0000 | |
| 339 | I | C | 0.0000 | |
| 340 | Q | C | -1.8836 | |
| 341 | E | C | -1.5486 | |
| 342 | F | C | 0.0000 | |
| 343 | A | C | -1.3216 | |
| 344 | G | C | -1.2884 | |
| 345 | C | C | -1.5687 | |
| 346 | K | C | -2.6215 | |
| 347 | K | C | -1.7785 | |
| 348 | I | C | 0.0000 | |
| 349 | F | C | 0.3002 | |
| 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 | -0.5620 | |
| 356 | P | C | -0.9173 | |
| 357 | E | C | -1.3965 | |
| 358 | S | C | 0.0000 | |
| 359 | F | C | -1.0767 | |
| 360 | D | C | -2.0557 | |
| 365 | S | C | -1.2405 | |
| 366 | N | C | -1.6421 | |
| 367 | T | C | -0.9896 | |
| 368 | A | C | -0.7279 | |
| 369 | P | C | -1.0094 | |
| 370 | L | C | 0.0000 | |
| 371 | Q | C | -1.7706 | |
| 372 | P | C | -1.9488 | |
| 373 | E | C | -2.6771 | |
| 374 | Q | C | -2.2429 | |
| 375 | L | C | 0.0000 | |
| 376 | Q | C | -2.3782 | |
| 377 | V | C | -1.5129 | |
| 378 | F | C | 0.0000 | |
| 379 | E | C | -2.0449 | |
| 380 | T | C | -1.8268 | |
| 381 | L | C | 0.0000 | |
| 382 | E | C | -2.1520 | |
| 383 | E | C | -1.4149 | |
| 384 | I | C | 0.0000 | |
| 385 | T | C | 0.0000 | |
| 386 | G | C | 0.0000 | |
| 387 | Y | C | 0.2514 | |
| 388 | L | C | 0.0000 | |
| 389 | Y | C | 0.1480 | |
| 390 | I | C | 0.0000 | |
| 391 | S | C | -0.3721 | |
| 392 | A | C | -0.7162 | |
| 393 | W | C | 0.0000 | |
| 394 | P | C | -1.4940 | |
| 395 | D | C | -1.9378 | |
| 396 | S | C | -1.0387 | |
| 397 | L | C | -0.6669 | |
| 398 | P | C | -0.4974 | |
| 399 | D | C | 0.0000 | |
| 400 | L | C | 0.0000 | |
| 401 | S | C | -0.5153 | |
| 402 | V | C | -0.9080 | |
| 403 | F | C | 0.0000 | |
| 404 | Q | C | -1.0249 | |
| 405 | N | C | -1.5082 | |
| 406 | L | C | 0.0000 | |
| 407 | Q | C | -1.5208 | |
| 408 | V | C | 0.0000 | |
| 409 | I | C | 0.0000 | |
| 410 | R | C | -0.1646 | |
| 411 | G | C | 0.0000 | |
| 412 | R | C | 0.0000 | |
| 413 | I | C | 0.5868 | |
| 414 | L | C | -0.0015 | |
| 415 | H | C | -0.3331 | |
| 416 | N | C | -1.2239 | |
| 417 | G | C | -0.8699 | |
| 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 | -0.8072 | |
| 425 | G | C | -1.0797 | |
| 426 | L | C | 0.0000 | |
| 427 | G | C | -1.2610 | |
| 428 | I | C | 0.0000 | |
| 429 | S | C | -0.4820 | |
| 430 | W | C | 0.0293 | |
| 431 | L | C | 0.0000 | |
| 432 | G | C | 0.0000 | |
| 433 | L | C | 0.0000 | |
| 434 | R | C | -0.9620 | |
| 435 | S | C | -1.1250 | |
| 436 | L | C | 0.0000 | |
| 437 | R | C | -2.1678 | |
| 438 | E | C | 0.0000 | |
| 439 | L | C | 0.0000 | |
| 440 | G | C | 0.0000 | |
| 441 | S | C | -0.1686 | |
| 442 | G | C | -0.1374 | |
| 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 | -1.4375 | |
| 449 | N | C | 0.0000 | |
| 450 | T | C | -0.9519 | |
| 451 | H | C | -1.1055 | |
| 452 | L | C | 0.0000 | |
| 453 | C | C | 0.0000 | |
| 454 | F | C | 0.0000 | |
| 455 | V | C | 0.0000 | |
| 456 | H | C | -1.2218 | |
| 457 | T | C | -0.8970 | |
| 458 | V | C | 0.0000 | |
| 459 | P | C | -1.5842 | |
| 460 | W | C | 0.0000 | |
| 461 | D | C | -2.5154 | |
| 462 | Q | C | -2.5600 | |
| 463 | L | C | 0.0000 | |
| 464 | F | C | -1.6262 | |
| 465 | R | C | -1.4671 | |
| 466 | N | C | -1.0960 | |
| 467 | P | C | -0.9780 | |
| 468 | H | C | -1.0197 | |
| 469 | Q | C | 0.0000 | |
| 470 | A | C | -0.5226 | |
| 471 | L | C | -0.3746 | |
| 472 | L | C | 0.0000 | |
| 473 | H | C | -1.1139 | |
| 474 | T | C | -0.9560 | |
| 475 | A | C | -0.8051 | |
| 476 | N | C | -1.2917 | |
| 477 | R | C | -1.7319 | |
| 478 | P | C | -2.0026 | |
| 479 | E | C | -3.1155 | |
| 480 | D | C | -3.0712 | |
| 481 | E | C | -2.8555 | |
| 482 | C | C | 0.0000 | |
| 483 | V | C | -0.5496 | |
| 484 | G | C | -1.8333 | |
| 485 | E | C | -2.2775 | |
| 486 | G | C | -0.8946 | |
| 487 | L | C | -0.3463 | |
| 488 | A | C | -0.1680 | |
| 489 | C | C | -0.6658 | |
| 490 | H | C | -0.9401 | |
| 491 | Q | C | -1.8360 | |
| 492 | L | C | 0.0000 | |
| 493 | C | C | 0.0000 | |
| 494 | A | C | -1.6788 | |
| 495 | R | C | -2.3993 | |
| 496 | G | C | -1.7942 | |
| 497 | H | C | -1.2624 | |
| 498 | C | C | 0.0000 | |
| 499 | W | C | 0.0000 | |
| 500 | G | C | 0.0000 | |
| 501 | P | C | -0.0595 | |
| 502 | G | C | -0.5570 | |
| 503 | P | C | -1.0962 | |
| 504 | T | C | -1.0161 | |
| 505 | Q | C | -0.7533 | |
| 506 | C | C | -1.0620 | |
| 507 | V | C | -0.7825 | |
| 508 | N | C | -1.3714 | |
| 509 | C | C | -1.4948 | |
| 510 | S | C | -1.4078 | |
| 511 | Q | C | -1.7521 | |
| 512 | F | C | -1.8740 | |
| 513 | L | C | -1.5408 | |
| 514 | R | C | -1.6190 | |
| 515 | G | C | -1.3986 | |
| 516 | Q | C | -1.9613 | |
| 517 | E | C | -2.0102 | |
| 518 | C | C | 0.0000 | |
| 519 | V | C | 0.0000 | |
| 520 | E | C | -3.0955 | |
| 521 | E | C | -2.8565 | |
| 522 | C | C | 0.0000 | |
| 523 | R | C | -0.8064 | |
| 524 | V | C | 0.2447 | |
| 525 | L | C | 0.3839 | |
| 526 | Q | C | -0.8704 | |
| 527 | G | C | 0.0510 | |
| 528 | L | C | 0.9246 | |
| 529 | P | C | -0.0216 | |
| 530 | R | C | -0.2046 | |
| 531 | E | C | 0.0000 | |
| 532 | Y | C | 0.7019 | |
| 533 | V | C | -0.1091 | |
| 534 | N | C | -1.0192 | |
| 535 | A | C | -1.0459 | |
| 536 | R | C | -1.8125 | |
| 537 | H | C | -1.2247 | |
| 538 | C | C | 0.0000 | |
| 539 | L | C | -0.3240 | |
| 540 | P | C | -0.3408 | |
| 541 | C | C | 0.0000 | |
| 542 | H | C | -0.6579 | |
| 543 | P | C | -0.6568 | |
| 544 | E | C | -0.6494 | |
| 545 | C | C | 0.0000 | |
| 546 | Q | C | -0.9256 | |
| 547 | P | C | -0.4650 | |
| 548 | Q | C | -0.7560 | |
| 549 | N | C | -1.4948 | |
| 550 | G | C | -0.8240 | |
| 551 | S | C | -0.0875 | |
| 552 | V | C | 0.9890 | |
| 553 | T | C | 0.0000 | |
| 554 | C | C | 0.0000 | |
| 555 | F | C | 2.1256 | |
| 556 | G | C | 0.0000 | |
| 557 | P | C | 0.2307 | |
| 558 | E | C | 0.0000 | |
| 559 | A | C | 0.0000 | |
| 560 | D | C | 0.0543 | |
| 561 | Q | C | 0.5202 | |
| 562 | C | C | 0.6331 | |
| 563 | V | C | 1.0701 | |
| 564 | A | C | 0.0783 | |
| 565 | C | C | -0.2034 | |
| 566 | A | C | -0.5779 | |
| 567 | H | C | -1.1519 | |
| 568 | Y | C | -0.7085 | |
| 569 | K | C | -0.7618 | |
| 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 | -0.5306 | |
| 576 | A | C | -0.9676 | |
| 577 | R | C | -1.7739 | |
| 578 | C | C | 0.0000 | |
| 579 | P | C | 0.0325 | |
| 580 | S | C | 0.4823 | |
| 591 | I | C | 1.9729 | |
| 592 | W | C | 2.0153 | |
| 593 | K | C | 0.0000 | |
| 594 | F | C | 0.4607 | |
| 595 | P | C | -0.8960 | |
| 596 | D | C | -1.7206 | |
| 597 | E | C | -2.8449 | |
| 598 | E | C | -2.8387 | |
| 599 | G | C | -1.6894 | |
| 600 | A | C | 0.0000 | |
| 601 | C | C | 0.0000 | |
| 602 | Q | C | -0.0942 | |
| 603 | P | C | 0.0000 | |
| 604 | C | C | 1.1121 | |
| 605 | P | C | 0.7229 | |
| 606 | I | C | 1.4252 | |
| 607 | N | C | 0.1091 |
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