| Chain sequence(s) |
A: DIQMTQSPSSLSASVGDRVTITCRTSQSISSYLNWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYSTPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
C: DIQMTQSPSSLSASVGDRVTITCRTSQSISSYLNWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYSTPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC B: QVQLVESGGGVVQPGRSLRLSCAASGFTFSGYGMHWVRQAPGKGLEWVALISYDESNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKVKFYDPTAPNDYWGQGTLVTVSSGSASAPTLFPLVSCVAVGCLAQDFLPDSITFSWKYKNNSDISSTRGFPSVLRGGKYAATSQVLLPSHVVCKVQHPNGNKEKDVPLP E: EVTIKVNLIFADGKIQTAEFKGTFEEATAEAYRYADLLAKVNGEYTADLEDGGNHMNIKFA D: QVQLVESGGGVVQPGRSLRLSCAASGFTFSGYGMHWVRQAPGKGLEWVALISYDESNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKVKFYDPTAPNDYWGQGTLVTVSSGSASAPTLFPLVSCENSTVAVGCLAQDFLPDSITFSWKYKNNSDISSTRGFPSVLRGGKYAATSQVLLPSNEHVVCKVQHPNGNKEKDVPLP input PDB |
| Selected Chain(s) | A,C,B,E,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:10:26)
[INFO] Main: Simulation completed successfully. (00:10:35)
|
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 | -2.3891 | |
| 2 | I | A | -1.4933 | |
| 3 | Q | A | -1.8914 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -0.8545 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | 0.0000 | |
| 8 | P | A | 0.0000 | |
| 9 | S | A | -1.3506 | |
| 10 | S | A | -1.2533 | |
| 11 | L | A | 0.0000 | |
| 12 | S | A | 0.0000 | |
| 13 | A | A | 0.0000 | |
| 14 | S | A | 0.1040 | |
| 15 | V | A | 0.7897 | |
| 16 | G | A | -0.3118 | |
| 17 | D | A | -1.0688 | |
| 18 | R | A | -1.9267 | |
| 19 | V | A | 0.0000 | |
| 20 | T | A | -0.3637 | |
| 21 | I | A | 0.0000 | |
| 22 | T | A | -0.2809 | |
| 23 | C | A | 0.0000 | |
| 24 | R | A | -1.3095 | |
| 25 | T | A | 0.0000 | |
| 26 | S | A | -1.5920 | |
| 27 | Q | A | -1.9219 | |
| 28 | S | A | -0.9156 | |
| 29 | I | A | 0.0000 | |
| 30 | S | A | -0.2989 | |
| 31 | S | A | -0.0438 | |
| 32 | Y | A | 0.6777 | |
| 33 | L | A | 0.0000 | |
| 34 | N | 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 | -1.9155 | |
| 40 | P | A | -1.5992 | |
| 41 | G | A | -1.7043 | |
| 42 | K | A | -2.6972 | |
| 43 | A | A | -1.6887 | |
| 44 | P | A | 0.0000 | |
| 45 | K | A | -1.5777 | |
| 46 | L | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | Y | A | 0.2542 | |
| 50 | A | A | 0.2584 | |
| 51 | A | A | 0.0000 | |
| 52 | S | A | -0.2016 | |
| 53 | S | A | 0.0443 | |
| 54 | L | A | 0.3001 | |
| 55 | Q | A | -0.2388 | |
| 56 | S | A | -0.3069 | |
| 57 | G | A | -0.4459 | |
| 58 | V | A | -0.1119 | |
| 59 | P | A | -0.2958 | |
| 60 | S | A | -0.3723 | |
| 61 | R | A | -0.7931 | |
| 62 | F | A | 0.0000 | |
| 63 | S | A | -0.3298 | |
| 64 | G | A | -0.3000 | |
| 65 | S | A | -0.6551 | |
| 66 | G | A | -0.8896 | |
| 67 | S | A | -0.7319 | |
| 68 | G | A | -0.9147 | |
| 69 | T | A | -1.2292 | |
| 70 | D | A | -1.4858 | |
| 71 | F | A | 0.0000 | |
| 72 | T | A | -0.4397 | |
| 73 | L | A | 0.0000 | |
| 74 | T | A | -0.5809 | |
| 75 | I | A | 0.0000 | |
| 76 | S | A | -1.1357 | |
| 77 | S | A | -0.9238 | |
| 78 | L | A | 0.0000 | |
| 79 | Q | A | -0.8348 | |
| 80 | P | A | -0.8312 | |
| 81 | E | A | -1.7507 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | -0.6732 | |
| 84 | A | A | -0.9540 | |
| 85 | T | A | 0.0000 | |
| 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 | S | A | 0.0000 | |
| 92 | Y | A | 1.0625 | |
| 93 | S | A | 0.1676 | |
| 94 | T | A | -0.0898 | |
| 95 | P | A | -0.4490 | |
| 96 | R | A | 0.0000 | |
| 97 | T | A | -0.7116 | |
| 98 | F | A | 0.0000 | |
| 99 | G | A | 0.0000 | |
| 100 | Q | A | -1.9386 | |
| 101 | G | A | 0.0000 | |
| 102 | T | A | 0.0000 | |
| 103 | K | A | -2.0302 | |
| 104 | V | A | 0.0000 | |
| 105 | E | A | -0.9299 | |
| 106 | I | A | 0.0621 | |
| 107 | K | A | -0.0811 | |
| 108 | R | A | -0.4781 | |
| 109 | T | A | 0.3347 | |
| 110 | V | A | 1.1107 | |
| 111 | A | A | 0.2932 | |
| 112 | A | A | 0.0656 | |
| 113 | P | A | 0.0000 | |
| 114 | S | A | -0.0844 | |
| 115 | V | A | 0.0000 | |
| 116 | F | A | 0.3554 | |
| 117 | I | A | 0.0000 | |
| 118 | F | A | 0.0000 | |
| 119 | P | A | -0.3266 | |
| 120 | P | A | 0.0000 | |
| 121 | S | A | -1.4328 | |
| 122 | D | A | -2.7700 | |
| 123 | E | A | -2.6744 | |
| 124 | Q | A | 0.0000 | |
| 125 | L | A | -2.2253 | |
| 126 | K | A | -2.6808 | |
| 127 | S | A | -1.6427 | |
| 128 | G | A | -1.1686 | |
| 129 | T | A | -0.8203 | |
| 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 | -0.8007 | |
| 139 | F | A | 0.0000 | |
| 140 | Y | A | 0.0000 | |
| 141 | P | A | -1.4869 | |
| 142 | R | A | -3.0988 | |
| 143 | E | A | -3.2862 | |
| 144 | A | A | -2.3200 | |
| 145 | K | A | -2.5049 | |
| 146 | V | A | -1.0760 | |
| 147 | Q | A | -0.6493 | |
| 148 | W | A | 0.0000 | |
| 149 | K | A | -0.6796 | |
| 150 | V | A | 0.0000 | |
| 151 | D | A | -1.9461 | |
| 152 | N | A | -1.5496 | |
| 153 | A | A | -0.3172 | |
| 154 | L | A | 0.7075 | |
| 155 | Q | A | -0.3040 | |
| 156 | S | A | -0.6185 | |
| 157 | G | A | -1.1228 | |
| 158 | N | A | -1.2554 | |
| 159 | S | A | -1.3052 | |
| 160 | Q | A | -1.3798 | |
| 161 | E | A | -2.0233 | |
| 162 | S | A | 0.0000 | |
| 163 | V | A | -1.0491 | |
| 164 | T | A | -1.3162 | |
| 165 | E | A | -2.4263 | |
| 166 | Q | A | -2.0598 | |
| 167 | D | A | -2.1783 | |
| 168 | S | A | -1.7914 | |
| 169 | K | A | -2.2887 | |
| 170 | D | A | -1.6919 | |
| 171 | S | A | -1.6261 | |
| 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 | -0.6932 | |
| 179 | L | A | 0.0000 | |
| 180 | T | A | -0.3583 | |
| 181 | L | A | -0.5832 | |
| 182 | S | A | -1.4653 | |
| 183 | K | A | -2.6838 | |
| 184 | A | A | -2.0967 | |
| 185 | D | A | -2.9149 | |
| 186 | Y | A | 0.0000 | |
| 187 | E | A | -4.0134 | |
| 188 | K | A | -3.9617 | |
| 189 | H | A | -3.1996 | |
| 190 | K | A | -3.4835 | |
| 191 | V | A | -1.6083 | |
| 192 | Y | A | 0.0000 | |
| 193 | A | A | -0.9052 | |
| 194 | C | A | 0.0000 | |
| 195 | E | A | -0.8230 | |
| 196 | V | A | 0.0000 | |
| 197 | T | A | -1.1553 | |
| 198 | H | A | 0.0000 | |
| 199 | Q | A | -1.4954 | |
| 200 | G | A | -0.2746 | |
| 201 | L | A | -0.1338 | |
| 202 | S | A | -0.4269 | |
| 203 | S | A | -0.3695 | |
| 204 | P | A | -0.4812 | |
| 205 | V | A | 0.2048 | |
| 206 | T | A | -0.3443 | |
| 207 | K | A | -0.7104 | |
| 208 | S | A | -0.6260 | |
| 209 | F | A | 0.0000 | |
| 210 | N | A | -1.9834 | |
| 211 | R | A | -2.7750 | |
| 212 | G | A | -2.0725 | |
| 213 | E | A | -2.2276 | |
| 214 | C | A | -0.3985 | |
| 1 | Q | B | -1.3957 | |
| 2 | V | B | -0.6555 | |
| 3 | Q | B | -1.0652 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 0.4210 | |
| 6 | E | B | 0.0000 | |
| 7 | S | B | -0.3190 | |
| 8 | G | B | -0.6314 | |
| 9 | G | B | -0.3060 | |
| 10 | G | B | 0.0285 | |
| 11 | V | B | 0.0332 | |
| 12 | V | B | 0.0000 | |
| 13 | Q | B | -1.8318 | |
| 14 | P | B | -2.0223 | |
| 15 | G | B | -2.3519 | |
| 16 | R | B | -2.9110 | |
| 17 | S | B | -2.3439 | |
| 18 | L | B | -1.3965 | |
| 19 | R | B | -1.8356 | |
| 20 | L | B | 0.0000 | |
| 21 | S | B | -0.3494 | |
| 22 | C | B | 0.0000 | |
| 23 | A | B | -0.2694 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -0.7173 | |
| 26 | G | B | -0.8879 | |
| 27 | F | B | -0.2675 | |
| 28 | T | B | -0.1731 | |
| 29 | F | B | 0.0000 | |
| 30 | S | B | -0.9046 | |
| 31 | G | B | 0.2615 | |
| 32 | Y | B | 0.3549 | |
| 33 | G | B | -0.2541 | |
| 34 | M | 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 | -0.8080 | |
| 40 | A | B | -1.1957 | |
| 41 | P | B | -1.0783 | |
| 42 | G | B | -1.5046 | |
| 43 | K | B | -2.3929 | |
| 44 | G | B | -1.6970 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -1.1136 | |
| 47 | W | B | 0.0000 | |
| 48 | V | B | 0.0000 | |
| 49 | A | B | 0.0000 | |
| 50 | L | B | -0.0282 | |
| 51 | I | B | 0.0000 | |
| 52 | S | B | -0.9314 | |
| 53 | Y | B | -0.5424 | |
| 54 | D | B | -2.2777 | |
| 55 | E | B | -2.3527 | |
| 56 | S | B | -1.8089 | |
| 57 | N | B | -1.8595 | |
| 58 | K | B | -0.9756 | |
| 59 | Y | B | -0.1876 | |
| 60 | Y | B | -0.7459 | |
| 61 | A | B | 0.0000 | |
| 62 | D | B | -2.6580 | |
| 63 | S | B | -1.7939 | |
| 64 | V | B | 0.0000 | |
| 65 | K | B | -2.5074 | |
| 66 | G | B | -1.8579 | |
| 67 | R | B | -1.8082 | |
| 68 | F | B | 0.0000 | |
| 69 | T | B | -1.0757 | |
| 70 | I | B | 0.0000 | |
| 71 | S | B | -0.7723 | |
| 72 | R | B | 0.0000 | |
| 73 | D | B | -2.5730 | |
| 74 | N | B | -2.1917 | |
| 75 | S | B | -1.8948 | |
| 76 | K | B | -2.6794 | |
| 77 | N | B | -2.1276 | |
| 78 | T | B | -1.2489 | |
| 79 | L | B | 0.0000 | |
| 80 | Y | B | -0.6541 | |
| 81 | L | B | 0.0000 | |
| 82 | Q | B | -1.8090 | |
| 83 | M | B | 0.0000 | |
| 84 | N | B | -2.6326 | |
| 85 | S | B | -2.0630 | |
| 86 | L | B | 0.0000 | |
| 87 | R | B | -2.7967 | |
| 88 | A | B | -1.7935 | |
| 89 | E | B | -2.2882 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.7537 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | 0.1856 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.0000 | |
| 96 | C | B | 0.0000 | |
| 97 | A | B | 0.0000 | |
| 98 | K | B | 0.0000 | |
| 99 | V | B | 0.0000 | |
| 100 | K | B | 0.0964 | |
| 101 | F | B | 0.6571 | |
| 102 | Y | B | 0.9527 | |
| 103 | D | B | -0.6927 | |
| 104 | P | B | -0.3755 | |
| 105 | T | B | 0.0799 | |
| 106 | A | B | 0.0000 | |
| 107 | P | B | 0.0000 | |
| 108 | N | B | 0.0000 | |
| 109 | D | B | 0.0000 | |
| 110 | Y | B | 0.5050 | |
| 111 | W | B | 0.0000 | |
| 112 | G | B | 0.0000 | |
| 113 | Q | B | -1.5585 | |
| 114 | G | B | -0.6089 | |
| 115 | T | B | -0.0624 | |
| 116 | L | B | 0.1271 | |
| 117 | V | B | 0.0000 | |
| 118 | T | B | 0.0000 | |
| 119 | V | B | 0.0000 | |
| 120 | S | B | 0.0000 | |
| 121 | S | B | -0.7011 | |
| 122 | G | B | -0.6153 | |
| 123 | S | B | -0.4184 | |
| 124 | A | B | -0.6527 | |
| 125 | S | B | -0.8226 | |
| 126 | A | B | -1.3458 | |
| 127 | P | B | 0.0000 | |
| 128 | T | B | -0.9421 | |
| 129 | L | B | 0.0000 | |
| 130 | F | B | 0.0000 | |
| 131 | P | B | -0.8120 | |
| 132 | L | B | 0.0000 | |
| 133 | V | B | 0.6009 | |
| 134 | S | B | 0.6105 | |
| 135 | C | B | 0.0841 | |
| 144 | V | B | 1.8974 | |
| 145 | A | B | 0.0000 | |
| 146 | V | B | 0.0000 | |
| 147 | G | B | 0.0000 | |
| 148 | C | B | 0.0000 | |
| 149 | L | B | 0.0000 | |
| 150 | A | B | 0.0000 | |
| 151 | Q | B | 0.0000 | |
| 152 | D | B | -1.7671 | |
| 153 | F | B | 0.0000 | |
| 154 | L | B | 0.0000 | |
| 155 | P | B | 0.0000 | |
| 156 | D | B | -0.6632 | |
| 157 | S | B | -0.6387 | |
| 158 | I | B | -0.6213 | |
| 159 | T | B | -0.5200 | |
| 160 | F | B | -0.4608 | |
| 161 | S | B | -0.9231 | |
| 162 | W | B | 0.0000 | |
| 163 | K | B | -2.5299 | |
| 164 | Y | B | -2.2213 | |
| 165 | K | B | -3.2010 | |
| 166 | N | B | -2.9227 | |
| 167 | N | B | -2.9030 | |
| 168 | S | B | -2.3548 | |
| 169 | D | B | -2.6600 | |
| 170 | I | B | 0.0000 | |
| 171 | S | B | -0.8202 | |
| 172 | S | B | -0.3935 | |
| 173 | T | B | -0.5004 | |
| 174 | R | B | -0.5891 | |
| 175 | G | B | -0.7665 | |
| 176 | F | B | 0.0000 | |
| 177 | P | B | -0.7183 | |
| 178 | S | B | -0.1858 | |
| 179 | V | B | -0.0256 | |
| 180 | L | B | 0.7426 | |
| 181 | R | B | -0.5056 | |
| 182 | G | B | -0.8757 | |
| 183 | G | B | -0.7391 | |
| 184 | K | B | -1.0291 | |
| 185 | Y | B | 0.0000 | |
| 186 | A | B | -0.4091 | |
| 187 | A | B | 0.0000 | |
| 188 | T | B | 0.0000 | |
| 189 | S | B | 0.0000 | |
| 190 | Q | B | 0.0000 | |
| 191 | V | B | 0.0000 | |
| 192 | L | B | 0.7114 | |
| 193 | L | B | 0.7584 | |
| 194 | P | B | 0.2819 | |
| 195 | S | B | 0.2419 | |
| 205 | H | B | -1.6780 | |
| 206 | V | B | 0.0000 | |
| 207 | V | B | -1.9715 | |
| 208 | C | B | 0.0000 | |
| 209 | K | B | -2.1354 | |
| 210 | V | B | 0.0000 | |
| 211 | Q | B | -2.2217 | |
| 212 | H | B | 0.0000 | |
| 213 | P | B | -1.4163 | |
| 214 | N | B | -1.8686 | |
| 215 | G | B | -1.8627 | |
| 216 | N | B | -2.8626 | |
| 217 | K | B | -2.8102 | |
| 218 | E | B | -3.2756 | |
| 219 | K | B | -2.4530 | |
| 220 | D | B | -2.7567 | |
| 221 | V | B | 0.0000 | |
| 222 | P | B | -0.8637 | |
| 223 | L | B | 0.1521 | |
| 224 | P | B | 0.1707 | |
| 1 | D | C | -2.2672 | |
| 2 | I | C | 0.0000 | |
| 3 | Q | C | -1.9905 | |
| 4 | M | C | 0.0000 | |
| 5 | T | C | -0.7915 | |
| 6 | Q | C | 0.0000 | |
| 7 | S | C | 0.0000 | |
| 8 | P | C | 0.0000 | |
| 9 | S | C | -1.0911 | |
| 10 | S | C | -0.8331 | |
| 11 | L | C | 0.0000 | |
| 12 | S | C | -0.6850 | |
| 13 | A | C | 0.0000 | |
| 14 | S | C | -0.1772 | |
| 15 | V | C | 0.9031 | |
| 16 | G | C | -0.0930 | |
| 17 | D | C | 0.0000 | |
| 18 | R | C | -1.2991 | |
| 19 | V | C | 0.0000 | |
| 20 | T | C | 0.0000 | |
| 21 | I | C | 0.0000 | |
| 22 | T | C | 0.0000 | |
| 23 | C | C | 0.0000 | |
| 24 | R | C | -0.9821 | |
| 25 | T | C | -1.0631 | |
| 26 | S | C | -1.4080 | |
| 27 | Q | C | -1.5660 | |
| 28 | S | C | -0.6700 | |
| 29 | I | C | 0.0000 | |
| 30 | S | C | -0.1847 | |
| 31 | S | C | 0.0214 | |
| 32 | Y | C | 0.5821 | |
| 33 | L | C | 0.0000 | |
| 34 | N | C | 0.0000 | |
| 35 | W | C | 0.0000 | |
| 36 | Y | C | 0.0000 | |
| 37 | Q | C | 0.0000 | |
| 38 | Q | C | 0.0000 | |
| 39 | K | C | -2.1323 | |
| 40 | P | C | -1.6742 | |
| 41 | G | C | -1.7748 | |
| 42 | K | C | -2.7236 | |
| 43 | A | C | -1.7408 | |
| 44 | P | C | 0.0000 | |
| 45 | K | C | -1.8857 | |
| 46 | L | C | 0.0000 | |
| 47 | L | C | 0.0000 | |
| 48 | I | C | 0.0000 | |
| 49 | Y | C | 0.2894 | |
| 50 | A | C | 0.1941 | |
| 51 | A | C | 0.0000 | |
| 52 | S | C | -0.1508 | |
| 53 | S | C | 0.1290 | |
| 54 | L | C | 0.4158 | |
| 55 | Q | C | -0.2233 | |
| 56 | S | C | -0.3166 | |
| 57 | G | C | -0.4668 | |
| 58 | V | C | -0.3138 | |
| 59 | P | C | -0.2967 | |
| 60 | S | C | -0.3638 | |
| 61 | R | C | -0.6724 | |
| 62 | F | C | 0.0000 | |
| 63 | S | C | -0.2772 | |
| 64 | G | C | -0.2857 | |
| 65 | S | C | -0.6777 | |
| 66 | G | C | -0.5544 | |
| 67 | S | C | -0.5411 | |
| 68 | G | C | -0.6231 | |
| 69 | T | C | -0.7954 | |
| 70 | D | C | -0.8038 | |
| 71 | F | C | 0.0000 | |
| 72 | T | C | 0.0000 | |
| 73 | L | C | 0.0000 | |
| 74 | T | C | 0.0000 | |
| 75 | I | C | 0.0000 | |
| 76 | S | C | -0.9077 | |
| 77 | S | C | -0.5731 | |
| 78 | L | C | 0.0000 | |
| 79 | Q | C | -0.7427 | |
| 80 | P | C | -0.8586 | |
| 81 | E | C | -1.8922 | |
| 82 | D | C | 0.0000 | |
| 83 | F | C | -0.6396 | |
| 84 | A | C | -0.9610 | |
| 85 | T | C | 0.0000 | |
| 86 | Y | C | 0.0000 | |
| 87 | Y | C | 0.0000 | |
| 88 | C | C | 0.0000 | |
| 89 | Q | C | 0.0000 | |
| 90 | Q | C | 0.0000 | |
| 91 | S | C | 0.0000 | |
| 92 | Y | C | 0.6804 | |
| 93 | S | C | -0.0781 | |
| 94 | T | C | -0.1801 | |
| 95 | P | C | -0.5245 | |
| 96 | R | C | 0.0000 | |
| 97 | T | C | -0.6850 | |
| 98 | F | C | -0.5031 | |
| 99 | G | C | 0.0000 | |
| 100 | Q | C | -1.8918 | |
| 101 | G | C | 0.0000 | |
| 102 | T | C | 0.0000 | |
| 103 | K | C | -1.9392 | |
| 104 | V | C | 0.0000 | |
| 105 | E | C | 0.0000 | |
| 106 | I | C | 0.0373 | |
| 107 | K | C | -0.3622 | |
| 108 | R | C | -0.2895 | |
| 109 | T | C | 0.3470 | |
| 110 | V | C | 1.1784 | |
| 111 | A | C | 0.3770 | |
| 112 | A | C | 0.0629 | |
| 113 | P | C | 0.0000 | |
| 114 | S | C | -0.0411 | |
| 115 | V | C | 0.0547 | |
| 116 | F | C | -0.0354 | |
| 117 | I | C | 0.0000 | |
| 118 | F | C | 0.0000 | |
| 119 | P | C | -0.6202 | |
| 120 | P | C | 0.0000 | |
| 121 | S | C | -1.1624 | |
| 122 | D | C | -2.5521 | |
| 123 | E | C | -2.2711 | |
| 124 | Q | C | 0.0000 | |
| 125 | L | C | -1.8960 | |
| 126 | K | C | -2.6322 | |
| 127 | S | C | -1.6585 | |
| 128 | G | C | -1.3463 | |
| 129 | T | C | -1.0003 | |
| 130 | A | C | 0.0000 | |
| 131 | S | C | 0.0000 | |
| 132 | V | C | 0.0000 | |
| 133 | V | C | 0.0000 | |
| 134 | C | C | 0.0000 | |
| 135 | L | C | 0.0000 | |
| 136 | L | C | 0.0000 | |
| 137 | N | C | 0.0000 | |
| 138 | N | C | -0.7101 | |
| 139 | F | C | 0.0000 | |
| 140 | Y | C | 0.0000 | |
| 141 | P | C | -1.0840 | |
| 142 | R | C | -2.2385 | |
| 143 | E | C | -2.8553 | |
| 144 | A | C | -2.1298 | |
| 145 | K | C | -2.4354 | |
| 146 | V | C | -1.1770 | |
| 147 | Q | C | -0.8352 | |
| 148 | W | C | 0.0000 | |
| 149 | K | C | -0.6693 | |
| 150 | V | C | 0.0000 | |
| 151 | D | C | -1.7093 | |
| 152 | N | C | -1.5344 | |
| 153 | A | C | -0.3478 | |
| 154 | L | C | 0.6671 | |
| 155 | Q | C | -0.1369 | |
| 156 | S | C | -0.4425 | |
| 157 | G | C | -0.8653 | |
| 158 | N | C | -0.7593 | |
| 159 | S | C | -1.0863 | |
| 160 | Q | C | -1.3566 | |
| 161 | E | C | -2.1086 | |
| 162 | S | C | -0.9066 | |
| 163 | V | C | -0.8197 | |
| 164 | T | C | 0.0000 | |
| 165 | E | C | -2.3574 | |
| 166 | Q | C | -1.9321 | |
| 167 | D | C | -2.2526 | |
| 168 | S | C | -1.8208 | |
| 169 | K | C | -2.3078 | |
| 170 | D | C | -1.7102 | |
| 171 | S | C | -1.5694 | |
| 172 | T | C | 0.0000 | |
| 173 | Y | C | 0.0000 | |
| 174 | S | C | 0.0000 | |
| 175 | L | C | 0.0000 | |
| 176 | S | C | 0.0000 | |
| 177 | S | C | 0.0000 | |
| 178 | T | C | 0.0000 | |
| 179 | L | C | 0.0000 | |
| 180 | T | C | -0.4727 | |
| 181 | L | C | -0.6881 | |
| 182 | S | C | -1.1520 | |
| 183 | K | C | -2.0256 | |
| 184 | A | C | -1.8267 | |
| 185 | D | C | -2.8109 | |
| 186 | Y | C | 0.0000 | |
| 187 | E | C | -3.0538 | |
| 188 | K | C | -3.3933 | |
| 189 | H | C | -2.9054 | |
| 190 | K | C | -3.0976 | |
| 191 | V | C | -1.3401 | |
| 192 | Y | C | 0.0000 | |
| 193 | A | C | -1.0264 | |
| 194 | C | C | 0.0000 | |
| 195 | E | C | -0.9945 | |
| 196 | V | C | 0.0000 | |
| 197 | T | C | -1.2682 | |
| 198 | H | C | 0.0000 | |
| 199 | Q | C | -1.3741 | |
| 200 | G | C | -0.2537 | |
| 201 | L | C | -0.1874 | |
| 202 | S | C | -0.4646 | |
| 203 | S | C | -0.4373 | |
| 204 | P | C | -0.6605 | |
| 205 | V | C | -0.0514 | |
| 206 | T | C | -0.4567 | |
| 207 | K | C | -1.1563 | |
| 208 | S | C | -1.2922 | |
| 209 | F | C | 0.0000 | |
| 210 | N | C | -2.1253 | |
| 211 | R | C | -2.2820 | |
| 212 | G | C | -1.8447 | |
| 213 | E | C | -2.5131 | |
| 214 | C | C | -0.8390 | |
| 1 | Q | D | -1.3716 | |
| 2 | V | D | -0.6246 | |
| 3 | Q | D | -0.6769 | |
| 4 | L | D | 0.0000 | |
| 5 | V | D | 1.0529 | |
| 6 | E | D | 0.0000 | |
| 7 | S | D | -0.4291 | |
| 8 | G | D | -1.0521 | |
| 9 | G | D | -0.5380 | |
| 10 | G | D | 0.0164 | |
| 11 | V | D | 0.1420 | |
| 12 | V | D | -0.6693 | |
| 13 | Q | D | -1.6004 | |
| 14 | P | D | -1.8320 | |
| 15 | G | D | -1.9477 | |
| 16 | R | D | -2.5720 | |
| 17 | S | D | -1.9755 | |
| 18 | L | D | -1.5957 | |
| 19 | R | D | -2.3109 | |
| 20 | L | D | 0.0000 | |
| 21 | S | D | -0.4629 | |
| 22 | C | D | 0.0000 | |
| 23 | A | D | -0.0179 | |
| 24 | A | D | 0.0000 | |
| 25 | S | D | -0.7746 | |
| 26 | G | D | -0.9133 | |
| 27 | F | D | -0.2867 | |
| 28 | T | D | -0.1534 | |
| 29 | F | D | 0.0000 | |
| 30 | S | D | -0.6592 | |
| 31 | G | D | 0.4012 | |
| 32 | Y | D | 0.6346 | |
| 33 | G | D | 0.1123 | |
| 34 | M | D | 0.0000 | |
| 35 | H | D | 0.0000 | |
| 36 | W | D | 0.0000 | |
| 37 | V | D | 0.0000 | |
| 38 | R | D | 0.0000 | |
| 39 | Q | D | -0.7983 | |
| 40 | A | D | -1.1753 | |
| 41 | P | D | -1.0109 | |
| 42 | G | D | -1.5044 | |
| 43 | K | D | -2.4129 | |
| 44 | G | D | -1.6892 | |
| 45 | L | D | 0.0000 | |
| 46 | E | D | -1.1720 | |
| 47 | W | D | 0.0000 | |
| 48 | V | D | 0.0000 | |
| 49 | A | D | 0.0000 | |
| 50 | L | D | 0.0212 | |
| 51 | I | D | 0.0000 | |
| 52 | S | D | -0.4897 | |
| 53 | Y | D | 0.2100 | |
| 54 | D | D | -1.8262 | |
| 55 | E | D | -1.7896 | |
| 56 | S | D | -1.4262 | |
| 57 | N | D | -1.4524 | |
| 58 | K | D | -1.1489 | |
| 59 | Y | D | -0.3981 | |
| 60 | Y | D | -0.8123 | |
| 61 | A | D | 0.0000 | |
| 62 | D | D | -2.3672 | |
| 63 | S | D | -1.6848 | |
| 64 | V | D | 0.0000 | |
| 65 | K | D | -2.4207 | |
| 66 | G | D | -1.6163 | |
| 67 | R | D | 0.0000 | |
| 68 | F | D | 0.0000 | |
| 69 | T | D | -0.9839 | |
| 70 | I | D | 0.0000 | |
| 71 | S | D | -0.7482 | |
| 72 | R | D | 0.0000 | |
| 73 | D | D | -1.9845 | |
| 74 | N | D | -1.8524 | |
| 75 | S | D | -1.6727 | |
| 76 | K | D | -2.4422 | |
| 77 | N | D | -1.7558 | |
| 78 | T | D | -1.0034 | |
| 79 | L | D | 0.0000 | |
| 80 | Y | D | -0.6025 | |
| 81 | L | D | 0.0000 | |
| 82 | Q | D | -1.6237 | |
| 83 | M | D | 0.0000 | |
| 84 | N | D | -1.6917 | |
| 85 | S | D | -1.5754 | |
| 86 | L | D | 0.0000 | |
| 87 | R | D | -2.3448 | |
| 88 | A | D | -1.5908 | |
| 89 | E | D | -2.2174 | |
| 90 | D | D | 0.0000 | |
| 91 | T | D | -0.6470 | |
| 92 | A | D | 0.0000 | |
| 93 | V | D | 0.3261 | |
| 94 | Y | D | 0.0000 | |
| 95 | Y | D | 0.0000 | |
| 96 | C | D | 0.0000 | |
| 97 | A | D | 0.0000 | |
| 98 | K | D | 0.0000 | |
| 99 | V | D | 0.0000 | |
| 100 | K | D | 0.3350 | |
| 101 | F | D | 1.0284 | |
| 102 | Y | D | 1.3825 | |
| 103 | D | D | -0.1099 | |
| 104 | P | D | -0.1844 | |
| 105 | T | D | 0.1871 | |
| 106 | A | D | 0.0000 | |
| 107 | P | D | 0.0000 | |
| 108 | N | D | 0.0000 | |
| 109 | D | D | -0.0447 | |
| 110 | Y | D | 0.1580 | |
| 111 | W | D | -0.2184 | |
| 112 | G | D | 0.0000 | |
| 113 | Q | D | -1.2197 | |
| 114 | G | D | -0.4838 | |
| 115 | T | D | 0.0000 | |
| 116 | L | D | 0.1643 | |
| 117 | V | D | 0.0000 | |
| 118 | T | D | 0.0000 | |
| 119 | V | D | 0.0000 | |
| 120 | S | D | -0.6794 | |
| 121 | S | D | -0.7165 | |
| 122 | G | D | -0.7087 | |
| 123 | S | D | -0.4482 | |
| 124 | A | D | -0.4406 | |
| 125 | S | D | -0.6325 | |
| 126 | A | D | -1.2525 | |
| 127 | P | D | 0.0000 | |
| 128 | T | D | -0.9271 | |
| 129 | L | D | 0.0000 | |
| 130 | F | D | -0.7031 | |
| 131 | P | D | -0.5591 | |
| 132 | L | D | 0.0000 | |
| 133 | V | D | 0.8908 | |
| 134 | S | D | 0.2385 | |
| 135 | C | D | -0.9947 | |
| 136 | E | D | -2.6236 | |
| 137 | N | D | -2.4099 | |
| 142 | S | D | -0.1449 | |
| 143 | T | D | 0.1128 | |
| 144 | V | D | 0.7036 | |
| 145 | A | D | 0.0000 | |
| 146 | V | D | 0.0000 | |
| 147 | G | D | 0.0000 | |
| 148 | C | D | 0.0000 | |
| 149 | L | D | 0.0000 | |
| 150 | A | D | 0.0000 | |
| 151 | Q | D | -0.5713 | |
| 152 | D | D | -1.2766 | |
| 153 | F | D | 0.0000 | |
| 154 | L | D | 0.0000 | |
| 155 | P | D | -0.4704 | |
| 156 | D | D | -0.4826 | |
| 157 | S | D | -0.5111 | |
| 158 | I | D | -0.5258 | |
| 159 | T | D | -0.5697 | |
| 160 | F | D | -0.3335 | |
| 161 | S | D | -0.8533 | |
| 162 | W | D | 0.0000 | |
| 163 | K | D | -2.0523 | |
| 164 | Y | D | -2.1822 | |
| 165 | K | D | -3.3577 | |
| 166 | N | D | -2.9570 | |
| 167 | N | D | -2.8437 | |
| 168 | S | D | -2.2921 | |
| 169 | D | D | -2.5661 | |
| 170 | I | D | 0.0000 | |
| 171 | S | D | -0.8060 | |
| 172 | S | D | -0.4171 | |
| 173 | T | D | -0.3323 | |
| 174 | R | D | -0.9964 | |
| 175 | G | D | -0.9198 | |
| 176 | F | D | 0.0000 | |
| 177 | P | D | -0.7376 | |
| 178 | S | D | 0.1278 | |
| 179 | V | D | 0.3441 | |
| 180 | L | D | 0.9631 | |
| 181 | R | D | -0.2115 | |
| 182 | G | D | -0.7433 | |
| 183 | G | D | -0.8159 | |
| 184 | K | D | -0.7594 | |
| 185 | Y | D | -0.1288 | |
| 186 | A | D | 0.0000 | |
| 187 | A | D | 0.0000 | |
| 188 | T | D | 0.0000 | |
| 189 | S | D | 0.0000 | |
| 190 | Q | D | 0.0000 | |
| 191 | V | D | 0.0000 | |
| 192 | L | D | 0.1971 | |
| 193 | L | D | 0.0000 | |
| 194 | P | D | -0.1924 | |
| 195 | S | D | -0.2457 | |
| 203 | N | D | -2.5876 | |
| 204 | E | D | -2.8779 | |
| 205 | H | D | -2.0525 | |
| 206 | V | D | 0.0000 | |
| 207 | V | D | -1.7638 | |
| 208 | C | D | 0.0000 | |
| 209 | K | D | -2.2998 | |
| 210 | V | D | 0.0000 | |
| 211 | Q | D | -2.3045 | |
| 212 | H | D | 0.0000 | |
| 213 | P | D | -1.1625 | |
| 214 | N | D | -1.4019 | |
| 215 | G | D | -1.7235 | |
| 216 | N | D | -2.9667 | |
| 217 | K | D | -3.1630 | |
| 218 | E | D | -3.4107 | |
| 219 | K | D | -2.3728 | |
| 220 | D | D | -2.5147 | |
| 221 | V | D | 0.0000 | |
| 222 | P | D | -0.9470 | |
| 223 | L | D | -0.4486 | |
| 224 | P | D | -0.5898 | |
| 820 | E | E | -2.0977 | |
| 821 | V | E | -1.2800 | |
| 822 | T | E | -1.2905 | |
| 823 | I | E | 0.0000 | |
| 824 | K | E | -1.7506 | |
| 825 | V | E | 0.0000 | |
| 826 | N | E | -0.5785 | |
| 827 | L | E | 0.0000 | |
| 828 | I | E | -0.3662 | |
| 829 | F | E | -0.7563 | |
| 830 | A | E | -1.1481 | |
| 831 | D | E | -2.0587 | |
| 832 | G | E | -1.4325 | |
| 833 | K | E | -1.0977 | |
| 834 | I | E | -0.1318 | |
| 835 | Q | E | 0.0000 | |
| 836 | T | E | -0.3250 | |
| 837 | A | E | 0.0000 | |
| 838 | E | E | -1.6100 | |
| 839 | F | E | 0.0000 | |
| 840 | K | E | -2.6411 | |
| 841 | G | E | 0.0000 | |
| 842 | T | E | -1.5446 | |
| 843 | F | E | 0.0000 | |
| 844 | E | E | -1.5755 | |
| 845 | E | E | -1.9349 | |
| 846 | A | E | 0.0000 | |
| 847 | T | E | 0.0000 | |
| 848 | A | E | -0.7209 | |
| 849 | E | E | -0.8482 | |
| 850 | A | E | 0.0000 | |
| 851 | Y | E | 0.0000 | |
| 852 | R | E | 0.0000 | |
| 853 | Y | E | 0.0000 | |
| 854 | A | E | 0.0000 | |
| 855 | D | E | 0.0000 | |
| 856 | L | E | 0.3834 | |
| 857 | L | E | 0.0637 | |
| 858 | A | E | -0.8023 | |
| 859 | K | E | -1.0334 | |
| 860 | V | E | 0.6377 | |
| 861 | N | E | -0.5854 | |
| 862 | G | E | -1.0691 | |
| 863 | E | E | -2.1205 | |
| 864 | Y | E | -1.1806 | |
| 865 | T | E | -0.7878 | |
| 866 | A | E | 0.0000 | |
| 867 | D | E | -0.7741 | |
| 868 | L | E | 0.0000 | |
| 869 | E | E | -2.5025 | |
| 870 | D | E | -2.9042 | |
| 871 | G | E | -1.8811 | |
| 872 | G | E | 0.0000 | |
| 873 | N | E | -1.5602 | |
| 874 | H | E | -1.8585 | |
| 875 | M | E | 0.0000 | |
| 876 | N | E | 0.0000 | |
| 877 | I | E | 0.0000 | |
| 878 | K | E | -1.2862 | |
| 879 | F | E | 0.0000 | |
| 880 | A | E | -0.9507 |