| Chain sequence(s) |
A: DIQMTQSPSSLSASVGDRVTITCKASQNVRTVVAWYQQKPGKAPKTLIYLASNRHTGVPSRFSGSGSGTDFTLTISSLQPEDFATYFCLQHWSYPLTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
C: DIQMTQSPSSLSASVGDRVTITCKASQNVRTVVAWYQQKPGKAPKTLIYLASNRHTGVPSRFSGSGSGTDFTLTISSLQPEDFATYFCLQHWSYPLTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC B: EVQLVESGGGLVQPGGSLRLSCAASGFAFSTYDMSWVRQAPGKGLEWVATISSGGSYTYYLDSVKGRFTISRDSSKNTLYLQMNSLRAEDTAVYYCAPTTVVPFAYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPPCPAPEFLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLS D: EVQLVESGGGLVQPGGSLRLSCAASGFAFSTYDMSWVRQAPGKGLEWVATISSGGSYTYYLDSVKGRFTISRDSSKNTLYLQMNSLRAEDTAVYYCAPTTVVPFAYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPPCPAPEFLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLS input PDB |
| Selected Chain(s) | A,C,B,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | Yes |
| Automated mutations | No |
| Mutated residues | ND381B,QE383B,ND387B,ND386B,QE175B,QE308B,QE175D,QE383D,ND381D,QE308D,ND387D,ND386D |
| Energy difference between WT (input) and mutated protein (by FoldX) | 3.51285 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:04)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:04)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:04)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:04)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:04)
[INFO] FoldX: Building mutant model (00:00:05)
[CRITICAL] FoldX: FoldX encountered an error: FoldX didn't produce expected mutant file.
Can't continue without it. This is unexpected and could indicate FoldX
issues. (00:00:06)
[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] FoldX: Building mutant model (00:43:44)
[INFO] FoldX: Starting FoldX energy minimalization (00:47:55)
[INFO] CABS: Running CABS flex simulation (01:07:05)
[INFO] Analysis: Starting Aggrescan3D on model_10.pdb (13:24:52)
[INFO] Analysis: Starting Aggrescan3D on model_7.pdb (13:25:38)
[INFO] Analysis: Starting Aggrescan3D on model_9.pdb (13:26:23)
[INFO] Analysis: Starting Aggrescan3D on model_8.pdb (13:27:06)
[INFO] Analysis: Starting Aggrescan3D on model_11.pdb (13:27:47)
[INFO] Analysis: Starting Aggrescan3D on model_6.pdb (13:28:27)
[INFO] Analysis: Starting Aggrescan3D on model_4.pdb (13:29:07)
[INFO] Analysis: Starting Aggrescan3D on model_2.pdb (13:29:49)
[INFO] Analysis: Starting Aggrescan3D on model_5.pdb (13:30:36)
[INFO] Analysis: Starting Aggrescan3D on model_1.pdb (13:31:21)
[INFO] Analysis: Starting Aggrescan3D on model_0.pdb (13:32:05)
[INFO] Analysis: Starting Aggrescan3D on model_3.pdb (13:32:52)
[INFO] Analysis: Starting Aggrescan3D on input.pdb (13:33:36)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (13:34:44)
[INFO] Movie: Creting movie with webm format (13:49:46)
[INFO] Main: Simulation completed successfully. (13:50:30)
|
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 | -0.6413 | |
| 2 | I | A | -0.5906 | |
| 3 | Q | A | -1.5299 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -1.0876 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -1.0341 | |
| 8 | P | A | -0.8673 | |
| 9 | S | A | -0.7103 | |
| 10 | S | A | -0.8392 | |
| 11 | L | A | -0.5151 | |
| 12 | S | A | -0.8718 | |
| 13 | A | A | 0.0000 | |
| 14 | S | A | -0.8904 | |
| 15 | V | A | 0.2624 | |
| 16 | G | A | -0.7460 | |
| 17 | D | A | -2.2226 | |
| 18 | R | A | -2.3780 | |
| 19 | V | A | 0.0000 | |
| 20 | T | A | -0.3211 | |
| 21 | I | A | 0.0000 | |
| 22 | T | A | -0.7174 | |
| 23 | C | A | 0.0000 | |
| 24 | K | A | -2.0361 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -1.0636 | |
| 27 | Q | A | -1.3042 | |
| 28 | N | A | -0.7708 | |
| 29 | V | A | 0.6001 | |
| 30 | R | A | 0.0000 | |
| 31 | T | A | 0.1751 | |
| 32 | V | 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 | -1.6688 | |
| 40 | P | A | -1.5902 | |
| 41 | G | A | -1.8016 | |
| 42 | K | A | -2.3072 | |
| 43 | A | A | 0.0000 | |
| 44 | P | A | -0.7831 | |
| 45 | K | A | -0.4458 | |
| 46 | T | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | Y | A | -0.9766 | |
| 50 | L | A | 0.0000 | |
| 51 | A | A | -0.8588 | |
| 52 | S | A | -1.3674 | |
| 53 | N | A | -2.4105 | |
| 54 | R | A | -2.8076 | |
| 55 | H | A | -1.5992 | |
| 56 | T | A | -0.5264 | |
| 57 | G | A | 0.0579 | |
| 58 | V | A | 1.1872 | |
| 59 | P | A | 0.5342 | |
| 60 | S | A | 0.6810 | |
| 61 | R | A | 0.0000 | |
| 62 | F | A | 0.9928 | |
| 63 | S | A | -0.1753 | |
| 64 | G | A | -0.6572 | |
| 65 | S | A | -0.5936 | |
| 66 | G | A | -0.8029 | |
| 67 | S | A | -0.8879 | |
| 68 | G | A | -0.6687 | |
| 69 | T | A | -0.7466 | |
| 70 | D | A | -1.3690 | |
| 71 | F | A | 0.0000 | |
| 72 | T | A | -0.6752 | |
| 73 | L | A | 0.0000 | |
| 74 | T | A | -0.1488 | |
| 75 | I | A | 0.0000 | |
| 76 | S | A | -0.7590 | |
| 77 | S | A | -0.1689 | |
| 78 | L | A | 1.0541 | |
| 79 | Q | A | 0.0000 | |
| 80 | P | A | -0.1227 | |
| 81 | E | A | 0.0000 | |
| 82 | D | A | -1.6693 | |
| 83 | F | A | -0.7156 | |
| 84 | A | A | 0.0000 | |
| 85 | T | A | 0.0000 | |
| 86 | Y | A | 0.0000 | |
| 87 | F | A | 0.0000 | |
| 88 | C | A | 0.0000 | |
| 89 | L | A | 0.0000 | |
| 90 | Q | A | 0.0000 | |
| 91 | H | A | 0.2438 | |
| 92 | W | A | 0.8276 | |
| 93 | S | A | 0.6028 | |
| 94 | Y | A | 0.7180 | |
| 95 | P | A | 0.0000 | |
| 96 | L | A | 0.0000 | |
| 97 | T | A | 0.0000 | |
| 98 | F | A | -0.5586 | |
| 99 | G | A | 0.0000 | |
| 100 | Q | A | -1.0905 | |
| 101 | G | A | 0.0000 | |
| 102 | T | A | 0.0000 | |
| 103 | K | A | -2.1497 | |
| 104 | V | A | 0.0000 | |
| 105 | E | A | -1.0049 | |
| 106 | I | A | 0.0000 | |
| 107 | K | A | 0.0000 | |
| 108 | R | A | -1.6296 | |
| 109 | T | A | -0.5354 | |
| 110 | V | A | -0.0621 | |
| 111 | A | A | -0.1901 | |
| 112 | A | A | -0.0844 | |
| 113 | P | A | 0.0000 | |
| 114 | S | A | -0.0657 | |
| 115 | V | A | 0.0347 | |
| 116 | F | A | 0.0000 | |
| 117 | I | A | 0.0000 | |
| 118 | F | A | 0.0000 | |
| 119 | P | A | 0.0000 | |
| 120 | P | A | 0.0000 | |
| 121 | S | A | 0.0000 | |
| 122 | D | A | -1.7840 | |
| 123 | E | A | -1.1960 | |
| 124 | Q | A | -0.7216 | |
| 125 | L | A | 0.0468 | |
| 126 | K | A | -1.1794 | |
| 127 | S | A | -1.0145 | |
| 128 | G | A | -0.9269 | |
| 129 | T | A | 0.0000 | |
| 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 | -0.0275 | |
| 138 | N | A | -0.6586 | |
| 139 | F | A | 0.0000 | |
| 140 | Y | A | -0.9690 | |
| 141 | P | A | -1.0864 | |
| 142 | R | A | -1.9831 | |
| 143 | E | A | -1.6160 | |
| 144 | A | A | -1.7984 | |
| 145 | K | A | -2.2657 | |
| 146 | V | A | -1.5675 | |
| 147 | Q | A | -1.7790 | |
| 148 | W | A | -1.3670 | |
| 149 | K | A | -2.5489 | |
| 150 | V | A | 0.0000 | |
| 151 | D | A | -3.0085 | |
| 152 | N | A | -3.2746 | |
| 153 | A | A | -2.8810 | |
| 154 | L | A | -1.7840 | |
| 155 | Q | A | -1.9820 | |
| 156 | S | A | -1.3389 | |
| 157 | G | A | -1.3183 | |
| 158 | N | A | -1.1542 | |
| 159 | S | A | -0.9524 | |
| 160 | Q | A | 0.0000 | |
| 161 | E | A | -1.3835 | |
| 162 | S | A | 0.0000 | |
| 163 | V | A | 0.5031 | |
| 164 | T | A | 0.0000 | |
| 165 | E | A | -0.7886 | |
| 166 | Q | A | 0.0000 | |
| 167 | D | A | -2.5599 | |
| 168 | S | A | -1.8437 | |
| 169 | K | A | -2.1766 | |
| 170 | D | A | -2.8096 | |
| 171 | S | A | -2.0295 | |
| 172 | T | A | 0.0000 | |
| 173 | Y | A | -0.7330 | |
| 174 | S | A | 0.0000 | |
| 175 | L | A | -0.2485 | |
| 176 | S | A | 0.0000 | |
| 177 | S | A | 0.0000 | |
| 178 | T | A | 0.0000 | |
| 179 | L | A | 0.0000 | |
| 180 | T | A | 0.0000 | |
| 181 | L | A | 0.0000 | |
| 182 | S | A | -1.7899 | |
| 183 | K | A | -2.5333 | |
| 184 | A | A | -2.1277 | |
| 185 | D | A | -2.8309 | |
| 186 | Y | A | -2.8293 | |
| 187 | E | A | -3.7237 | |
| 188 | K | A | -3.8964 | |
| 189 | H | A | 0.0000 | |
| 190 | K | A | -3.2416 | |
| 191 | V | A | -2.1853 | |
| 192 | Y | A | 0.0000 | |
| 193 | A | A | -1.0398 | |
| 194 | C | A | 0.0000 | |
| 195 | E | A | -1.4634 | |
| 196 | V | A | 0.0000 | |
| 197 | T | A | -1.0388 | |
| 198 | H | A | 0.0000 | |
| 199 | Q | A | -1.5630 | |
| 200 | G | A | -0.3531 | |
| 201 | L | A | 0.7983 | |
| 202 | S | A | -0.0310 | |
| 203 | S | A | -0.1617 | |
| 204 | P | A | -0.3773 | |
| 205 | V | A | -0.2106 | |
| 206 | T | A | -0.5668 | |
| 207 | K | A | -0.6396 | |
| 208 | S | A | -0.5961 | |
| 209 | F | A | -0.8013 | |
| 210 | N | A | -1.9459 | |
| 211 | R | A | -1.6140 | |
| 212 | G | A | -2.1008 | |
| 213 | E | A | -2.0684 | |
| 214 | C | A | -1.8700 | |
| 1 | D | C | -1.8758 | |
| 2 | I | C | 0.0000 | |
| 3 | Q | C | -1.7506 | |
| 4 | M | C | 0.0000 | |
| 5 | T | C | -0.9217 | |
| 6 | Q | C | -0.6747 | |
| 7 | S | C | -0.5553 | |
| 8 | P | C | 0.0000 | |
| 9 | S | C | -0.4137 | |
| 10 | S | C | -0.3400 | |
| 11 | L | C | 0.1123 | |
| 12 | S | C | -0.3671 | |
| 13 | A | C | 0.0000 | |
| 14 | S | C | -0.9302 | |
| 15 | V | C | -0.1562 | |
| 16 | G | C | -1.0753 | |
| 17 | D | C | -2.2436 | |
| 18 | R | C | -2.2171 | |
| 19 | V | C | -0.8327 | |
| 20 | T | C | -0.2755 | |
| 21 | I | C | 0.0000 | |
| 22 | T | C | -0.7231 | |
| 23 | C | C | 0.0000 | |
| 24 | K | C | -2.1311 | |
| 25 | A | C | 0.0000 | |
| 26 | S | C | -1.8217 | |
| 27 | Q | C | -2.1735 | |
| 28 | N | C | -1.8464 | |
| 29 | V | C | -0.5599 | |
| 30 | R | C | -1.9699 | |
| 31 | T | C | -0.8594 | |
| 32 | V | C | 0.3808 | |
| 33 | V | C | 0.0000 | |
| 34 | A | 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 | -2.2746 | |
| 40 | P | C | -1.7154 | |
| 41 | G | C | -1.5756 | |
| 42 | K | C | -2.2130 | |
| 43 | A | C | 0.0000 | |
| 44 | P | C | 0.0000 | |
| 45 | K | C | -0.5214 | |
| 46 | T | C | 0.0000 | |
| 47 | L | C | 0.0000 | |
| 48 | I | C | -0.4289 | |
| 49 | Y | C | 0.0000 | |
| 50 | L | C | 0.8971 | |
| 51 | A | C | 0.5215 | |
| 52 | S | C | -0.5428 | |
| 53 | N | C | -1.7559 | |
| 54 | R | C | -2.2920 | |
| 55 | H | C | -1.5988 | |
| 56 | T | C | 0.0000 | |
| 57 | G | C | -1.2686 | |
| 58 | V | C | -0.5841 | |
| 59 | P | C | -0.2831 | |
| 60 | S | C | -0.6114 | |
| 61 | R | C | -0.9090 | |
| 62 | F | C | -0.1768 | |
| 63 | S | C | -0.4569 | |
| 64 | G | C | -0.7121 | |
| 65 | S | C | -0.9935 | |
| 66 | G | C | -1.1549 | |
| 67 | S | C | -1.0942 | |
| 68 | G | C | -1.1612 | |
| 69 | T | C | -1.5850 | |
| 70 | D | C | -1.7609 | |
| 71 | F | C | 0.0000 | |
| 72 | T | C | -1.0060 | |
| 73 | L | C | 0.0000 | |
| 74 | T | C | -0.5367 | |
| 75 | I | C | 0.0000 | |
| 76 | S | C | -0.8907 | |
| 77 | S | C | -0.8574 | |
| 78 | L | C | 0.0000 | |
| 79 | Q | C | -1.7729 | |
| 80 | P | C | -1.6191 | |
| 81 | E | C | -2.5623 | |
| 82 | D | C | -1.9625 | |
| 83 | F | C | 0.0000 | |
| 84 | A | C | -1.4295 | |
| 85 | T | C | 0.0000 | |
| 86 | Y | C | 0.0000 | |
| 87 | F | C | 0.0000 | |
| 88 | C | C | 0.0000 | |
| 89 | L | C | 0.0000 | |
| 90 | Q | C | 0.0000 | |
| 91 | H | C | 0.0000 | |
| 92 | W | C | 1.0605 | |
| 93 | S | C | 0.7264 | |
| 94 | Y | C | 1.6203 | |
| 95 | P | C | 0.7472 | |
| 96 | L | C | 0.0000 | |
| 97 | T | C | -0.7046 | |
| 98 | F | C | 0.0000 | |
| 99 | G | C | -0.8143 | |
| 100 | Q | C | -0.9907 | |
| 101 | G | C | -1.1011 | |
| 102 | T | C | 0.0000 | |
| 103 | K | C | -0.8174 | |
| 104 | V | C | 0.0000 | |
| 105 | E | C | -0.9461 | |
| 106 | I | C | -0.8058 | |
| 107 | K | C | -1.0204 | |
| 108 | R | C | -1.7233 | |
| 109 | T | C | -0.2963 | |
| 110 | V | C | 1.2623 | |
| 111 | A | C | 0.6050 | |
| 112 | A | C | 0.4777 | |
| 113 | P | C | 0.1255 | |
| 114 | S | C | 0.0000 | |
| 115 | V | C | 0.0000 | |
| 116 | F | C | 0.0000 | |
| 117 | I | C | 0.0000 | |
| 118 | F | C | 0.0000 | |
| 119 | P | C | 0.0000 | |
| 120 | P | C | -0.3680 | |
| 121 | S | C | 0.0000 | |
| 122 | D | C | -0.9176 | |
| 123 | E | C | -1.3079 | |
| 124 | Q | C | 0.0000 | |
| 125 | L | C | -0.8722 | |
| 126 | K | C | -1.8603 | |
| 127 | S | C | -1.3029 | |
| 128 | G | C | -1.0383 | |
| 129 | T | C | -0.8313 | |
| 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 | -0.4156 | |
| 139 | F | C | 0.0000 | |
| 140 | Y | C | -0.7304 | |
| 141 | P | C | 0.0000 | |
| 142 | R | C | -1.6866 | |
| 143 | E | C | -1.9315 | |
| 144 | A | C | -1.8526 | |
| 145 | K | C | -2.4762 | |
| 146 | V | C | -1.7299 | |
| 147 | Q | C | -1.7272 | |
| 148 | W | C | -0.5249 | |
| 149 | K | C | -0.4015 | |
| 150 | V | C | 0.1335 | |
| 151 | D | C | -0.6729 | |
| 152 | N | C | -1.1075 | |
| 153 | A | C | -0.0333 | |
| 154 | L | C | 1.1910 | |
| 155 | Q | C | 0.2528 | |
| 156 | S | C | -0.1860 | |
| 157 | G | C | -0.7875 | |
| 158 | N | C | -0.7027 | |
| 159 | S | C | -0.8019 | |
| 160 | Q | C | 0.0000 | |
| 161 | E | C | -1.3842 | |
| 162 | S | C | 0.0000 | |
| 163 | V | C | 0.2024 | |
| 164 | T | C | 0.0000 | |
| 165 | E | C | -1.7961 | |
| 166 | Q | C | -1.9302 | |
| 167 | D | C | -1.3410 | |
| 168 | S | C | -1.3251 | |
| 169 | K | C | -1.7332 | |
| 170 | D | C | -2.3030 | |
| 171 | S | C | -1.7746 | |
| 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 | -0.3803 | |
| 181 | L | C | 0.0000 | |
| 182 | S | C | -1.0035 | |
| 183 | K | C | -1.3698 | |
| 184 | A | C | -1.0503 | |
| 185 | D | C | -1.4713 | |
| 186 | Y | C | 0.0000 | |
| 187 | E | C | -1.7638 | |
| 188 | K | C | -1.9121 | |
| 189 | H | C | -1.8999 | |
| 190 | K | C | -1.4256 | |
| 191 | V | C | 0.0000 | |
| 192 | Y | C | 0.0000 | |
| 193 | A | C | -0.1586 | |
| 194 | C | C | 0.0000 | |
| 195 | E | C | -1.1928 | |
| 196 | V | C | 0.0000 | |
| 197 | T | C | -1.4333 | |
| 198 | H | C | 0.0000 | |
| 199 | Q | C | -1.8168 | |
| 200 | G | C | -0.9887 | |
| 201 | L | C | 0.1492 | |
| 202 | S | C | -0.5036 | |
| 203 | S | C | -0.3469 | |
| 204 | P | C | -0.4250 | |
| 205 | V | C | -0.1464 | |
| 206 | T | C | -0.4059 | |
| 207 | K | C | 0.0000 | |
| 208 | S | C | -0.0221 | |
| 209 | F | C | 0.0000 | |
| 210 | N | C | 0.0000 | |
| 211 | R | C | -1.5035 | |
| 212 | G | C | -1.2146 | |
| 213 | E | C | 0.0000 | |
| 214 | C | C | 0.0830 | |
| 1 | E | B | -1.7913 | |
| 2 | V | B | -1.2787 | |
| 3 | Q | B | -1.1613 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 1.3172 | |
| 6 | E | B | 0.0000 | |
| 7 | S | B | -0.4049 | |
| 8 | G | B | -0.9823 | |
| 9 | G | B | -0.7390 | |
| 10 | G | B | -0.3609 | |
| 11 | L | B | 0.1192 | |
| 12 | V | B | 0.0000 | |
| 13 | Q | B | -1.2130 | |
| 14 | P | B | -1.0618 | |
| 15 | G | B | -1.0755 | |
| 16 | G | B | -1.2509 | |
| 17 | S | B | -1.5085 | |
| 18 | L | B | 0.0000 | |
| 19 | R | B | -2.2307 | |
| 20 | L | B | 0.0000 | |
| 21 | S | B | -0.3364 | |
| 22 | C | B | 0.0000 | |
| 23 | A | B | -0.0410 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -1.0462 | |
| 26 | G | B | -1.3192 | |
| 27 | F | B | 0.0000 | |
| 28 | A | B | -0.6391 | |
| 29 | F | B | -0.7149 | |
| 30 | S | B | -0.5020 | |
| 31 | T | B | -0.2961 | |
| 32 | Y | B | 0.0000 | |
| 33 | D | B | -0.2492 | |
| 34 | M | B | 0.0000 | |
| 35 | S | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | 0.0000 | |
| 40 | A | B | -0.5106 | |
| 41 | P | B | -1.3826 | |
| 42 | G | B | -1.7895 | |
| 43 | K | B | -2.2842 | |
| 44 | G | B | -1.1917 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -0.7118 | |
| 47 | W | B | 0.0000 | |
| 48 | V | B | 0.0000 | |
| 49 | A | B | 0.0000 | |
| 50 | T | B | 0.0000 | |
| 51 | I | B | 0.0000 | |
| 52 | S | B | 0.0000 | |
| 53 | S | B | -0.5969 | |
| 54 | G | B | -0.7996 | |
| 55 | G | B | -0.7278 | |
| 56 | S | B | -0.3925 | |
| 57 | Y | B | 0.2367 | |
| 58 | T | B | 0.4851 | |
| 59 | Y | B | 1.1028 | |
| 60 | Y | B | 1.2693 | |
| 61 | L | B | 0.0000 | |
| 62 | D | B | 0.0839 | |
| 63 | S | B | 0.2056 | |
| 64 | V | B | 1.1059 | |
| 65 | K | B | -0.0023 | |
| 66 | G | B | -0.2573 | |
| 67 | R | B | -0.2805 | |
| 68 | F | B | 0.0000 | |
| 69 | T | B | -0.0339 | |
| 70 | I | B | 0.3388 | |
| 71 | S | B | -0.1286 | |
| 72 | R | B | -0.8993 | |
| 73 | D | B | -1.3918 | |
| 74 | S | B | -1.3934 | |
| 75 | S | B | -1.4070 | |
| 76 | K | B | -2.2955 | |
| 77 | N | B | -1.6477 | |
| 78 | T | B | -0.7395 | |
| 79 | L | B | 0.0000 | |
| 80 | Y | B | 0.0192 | |
| 81 | L | B | 0.0000 | |
| 82 | Q | B | -1.3284 | |
| 83 | M | B | -1.3511 | |
| 84 | N | B | -2.0697 | |
| 85 | S | B | -1.4005 | |
| 86 | L | B | 0.0000 | |
| 87 | R | B | -1.0491 | |
| 88 | A | B | -1.2385 | |
| 89 | E | B | -2.5059 | |
| 90 | D | B | -2.6028 | |
| 91 | T | B | -1.1706 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | -0.0178 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.0000 | |
| 96 | C | B | 0.0000 | |
| 97 | A | B | 0.0000 | |
| 98 | P | B | 0.0000 | |
| 99 | T | B | 0.0000 | |
| 100 | T | B | 0.4321 | |
| 101 | V | B | 1.5177 | |
| 102 | V | B | 1.0657 | |
| 103 | P | B | 0.0000 | |
| 104 | F | B | 0.0000 | |
| 105 | A | B | -0.0698 | |
| 106 | Y | B | -0.2803 | |
| 107 | W | B | 0.0000 | |
| 108 | G | B | 0.0000 | |
| 109 | Q | B | -0.4789 | |
| 110 | G | B | -0.6282 | |
| 111 | T | B | 0.0000 | |
| 112 | L | B | 0.2043 | |
| 113 | V | B | 0.0000 | |
| 114 | T | B | 0.0000 | |
| 115 | V | B | -1.1716 | |
| 116 | S | B | -1.2886 | |
| 117 | S | B | -0.7797 | |
| 118 | A | B | -0.2105 | |
| 119 | S | B | 0.0491 | |
| 120 | T | B | -0.2530 | |
| 121 | K | B | -0.7323 | |
| 122 | G | B | -0.8373 | |
| 123 | P | B | -0.7040 | |
| 124 | S | B | -0.5756 | |
| 125 | V | B | -0.1856 | |
| 126 | F | B | 0.0000 | |
| 127 | P | B | -0.6394 | |
| 128 | L | B | 0.0000 | |
| 129 | A | B | 0.0000 | |
| 130 | P | B | 0.0000 | |
| 131 | C | B | 0.0000 | |
| 132 | S | B | -0.5382 | |
| 133 | R | B | -1.1276 | |
| 134 | S | B | -1.1036 | |
| 135 | T | B | -1.1578 | |
| 136 | S | B | -0.9351 | |
| 137 | E | B | -1.9501 | |
| 138 | S | B | 0.0000 | |
| 139 | T | B | -0.7534 | |
| 140 | A | B | 0.0000 | |
| 141 | A | B | 0.0000 | |
| 142 | L | B | 0.0000 | |
| 143 | G | B | 0.0000 | |
| 144 | C | B | 0.0000 | |
| 145 | L | B | 0.0000 | |
| 146 | V | B | 0.0000 | |
| 147 | K | B | 0.0000 | |
| 148 | D | B | -0.2636 | |
| 149 | Y | B | 0.0000 | |
| 150 | F | B | 0.8621 | |
| 151 | P | B | 0.0912 | |
| 152 | E | B | -0.5381 | |
| 153 | P | B | -0.6247 | |
| 154 | V | B | 0.0000 | |
| 155 | T | B | -0.3476 | |
| 156 | V | B | 0.2188 | |
| 157 | S | B | -0.2576 | |
| 158 | W | B | -0.7329 | |
| 159 | N | B | -1.5921 | |
| 160 | S | B | -1.0627 | |
| 161 | G | B | -0.7969 | |
| 162 | A | B | 0.0000 | |
| 163 | L | B | -0.3104 | |
| 164 | T | B | -0.3502 | |
| 165 | S | B | -0.2774 | |
| 166 | G | B | -0.2868 | |
| 167 | V | B | 0.1328 | |
| 168 | H | B | 0.0000 | |
| 169 | T | B | 0.2146 | |
| 170 | F | B | 1.0342 | |
| 171 | P | B | 0.6890 | |
| 172 | A | B | 0.8906 | |
| 173 | V | B | 0.0000 | |
| 174 | L | B | 1.5917 | |
| 175 | E | B | 0.5939 | mutated: QE175B |
| 176 | S | B | -0.2361 | |
| 177 | S | B | -0.1797 | |
| 178 | G | B | 0.4550 | |
| 179 | L | B | 1.5469 | |
| 180 | Y | B | 1.2520 | |
| 181 | S | B | 0.0000 | |
| 182 | L | B | 0.7421 | |
| 183 | S | B | 0.4328 | |
| 184 | S | B | 0.5342 | |
| 185 | V | B | 0.0000 | |
| 186 | V | B | 0.0000 | |
| 187 | T | B | -0.0241 | |
| 188 | V | B | 0.0000 | |
| 189 | P | B | -0.6956 | |
| 190 | S | B | -0.8551 | |
| 191 | S | B | 0.0000 | |
| 192 | S | B | -0.3701 | |
| 193 | L | B | 0.0000 | |
| 194 | G | B | -0.4308 | |
| 195 | T | B | 0.0000 | |
| 196 | K | B | 0.0000 | |
| 197 | T | B | -0.7999 | |
| 198 | Y | B | 0.0000 | |
| 199 | T | B | -1.7950 | |
| 200 | C | B | 0.0000 | |
| 201 | N | B | -1.7459 | |
| 202 | V | B | -1.0784 | |
| 203 | D | B | -2.1211 | |
| 204 | H | B | 0.0000 | |
| 205 | K | B | -2.8547 | |
| 206 | P | B | -1.6948 | |
| 207 | S | B | -1.8910 | |
| 208 | N | B | -2.5396 | |
| 209 | T | B | -2.1014 | |
| 210 | K | B | -2.6563 | |
| 211 | V | B | -1.3883 | |
| 212 | D | B | -2.7086 | |
| 213 | K | B | -2.2753 | |
| 214 | R | B | -2.7111 | |
| 215 | V | B | 0.0000 | |
| 216 | E | B | 0.0000 | |
| 217 | S | B | -0.8041 | |
| 218 | K | B | 0.0000 | |
| 219 | Y | B | 0.3802 | |
| 220 | G | B | 0.0000 | |
| 221 | P | B | 0.0000 | |
| 222 | P | B | -0.4070 | |
| 223 | C | B | -0.3800 | |
| 224 | P | B | -0.5475 | |
| 225 | P | B | -0.2720 | |
| 226 | C | B | 0.0471 | |
| 227 | P | B | -0.2859 | |
| 228 | A | B | -0.3987 | |
| 229 | P | B | -0.0285 | |
| 230 | E | B | 0.0000 | |
| 231 | F | B | 0.3972 | |
| 232 | L | B | 0.0000 | |
| 233 | G | B | 0.0000 | |
| 234 | G | B | -0.5130 | |
| 235 | P | B | 0.0000 | |
| 236 | S | B | 0.1803 | |
| 237 | V | B | 0.0000 | |
| 238 | F | B | 2.3593 | |
| 239 | L | B | 0.0000 | |
| 240 | F | B | 1.5893 | |
| 241 | P | B | 0.2961 | |
| 242 | P | B | -0.3111 | |
| 243 | K | B | -1.1258 | |
| 244 | P | B | -1.5768 | |
| 245 | K | B | -2.5012 | |
| 246 | D | B | -1.9518 | |
| 247 | T | B | 0.0000 | |
| 248 | L | B | 0.5311 | |
| 249 | M | B | 0.0000 | |
| 250 | I | B | 1.4414 | |
| 251 | S | B | -0.0857 | |
| 252 | R | B | -1.3572 | |
| 253 | T | B | -0.7567 | |
| 254 | P | B | -0.8378 | |
| 255 | E | B | -1.6506 | |
| 256 | V | B | 0.0000 | |
| 257 | T | B | 0.2639 | |
| 258 | C | B | 0.0000 | |
| 259 | V | B | 1.2167 | |
| 260 | V | B | 0.0000 | |
| 261 | V | B | 0.0257 | |
| 262 | D | B | 0.0000 | |
| 263 | V | B | 0.0000 | |
| 264 | S | B | 0.0000 | |
| 265 | Q | B | -1.0638 | |
| 266 | E | B | -1.7640 | |
| 267 | D | B | -2.8456 | |
| 268 | P | B | 0.0000 | |
| 269 | E | B | -2.0070 | |
| 270 | V | B | -1.0053 | |
| 271 | Q | B | -1.2107 | |
| 272 | F | B | 0.0000 | |
| 273 | N | B | -1.2510 | |
| 274 | W | B | -0.6974 | |
| 275 | Y | B | -0.6108 | |
| 276 | V | B | 0.0000 | |
| 277 | D | B | -1.8287 | |
| 278 | G | B | -0.5204 | |
| 279 | V | B | 0.3752 | |
| 280 | E | B | -1.3121 | |
| 281 | V | B | -1.0624 | |
| 282 | H | B | -1.9612 | |
| 283 | N | B | -2.3035 | |
| 284 | A | B | 0.0000 | |
| 285 | K | B | -2.4328 | |
| 286 | T | B | -2.0815 | |
| 287 | K | B | -2.8179 | |
| 288 | P | B | -2.9886 | |
| 289 | R | B | -4.1007 | |
| 290 | E | B | -4.2638 | |
| 291 | E | B | -3.6674 | |
| 292 | Q | B | -2.0282 | |
| 293 | F | B | 0.0389 | |
| 294 | N | B | 0.0000 | |
| 295 | S | B | 0.0000 | |
| 296 | T | B | -1.8814 | |
| 297 | Y | B | 0.0000 | |
| 298 | R | B | -2.9120 | |
| 299 | V | B | 0.0000 | |
| 300 | V | B | -0.9698 | |
| 301 | S | B | 0.0000 | |
| 302 | V | B | -1.0517 | |
| 303 | L | B | 0.0000 | |
| 304 | T | B | -0.7825 | |
| 305 | V | B | 0.0000 | |
| 306 | L | B | 0.8970 | |
| 307 | H | B | -0.2294 | |
| 308 | E | B | -1.4046 | mutated: QE308B |
| 309 | D | B | -1.2540 | |
| 310 | W | B | 0.0000 | |
| 311 | L | B | 0.3236 | |
| 312 | N | B | 0.0000 | |
| 313 | G | B | -1.7640 | |
| 314 | K | B | 0.0000 | |
| 315 | E | B | -2.0944 | |
| 316 | Y | B | 0.0000 | |
| 317 | K | B | -1.4607 | |
| 318 | C | B | 0.0000 | |
| 319 | K | B | -1.0454 | |
| 320 | V | B | 0.0000 | |
| 321 | S | B | 0.0000 | |
| 322 | N | B | 0.0000 | |
| 323 | K | B | -1.9499 | |
| 324 | G | B | -1.4155 | |
| 325 | L | B | 0.0000 | |
| 326 | P | B | 0.0000 | |
| 327 | S | B | 0.0000 | |
| 328 | S | B | -0.8775 | |
| 329 | I | B | 0.0000 | |
| 330 | E | B | -0.8743 | |
| 331 | K | B | -0.7441 | |
| 332 | T | B | -0.7817 | |
| 333 | I | B | 0.0000 | |
| 334 | S | B | -1.6567 | |
| 335 | K | B | -2.7866 | |
| 336 | A | B | -2.3583 | |
| 337 | K | B | -2.8729 | |
| 338 | G | B | -1.6328 | |
| 339 | Q | B | -1.5430 | |
| 340 | P | B | -1.2510 | |
| 341 | R | B | -1.3928 | |
| 342 | E | B | -1.8762 | |
| 343 | P | B | -1.0817 | |
| 344 | Q | B | -1.0225 | |
| 345 | V | B | 0.0000 | |
| 346 | Y | B | 0.0000 | |
| 347 | T | B | -0.5683 | |
| 348 | L | B | -0.1786 | |
| 349 | P | B | 0.0000 | |
| 350 | P | B | -0.2957 | |
| 351 | S | B | -0.5753 | |
| 352 | Q | B | 0.0000 | |
| 353 | E | B | -2.1869 | |
| 354 | E | B | -1.4838 | |
| 355 | M | B | -0.2141 | |
| 356 | T | B | -0.7617 | |
| 357 | K | B | -1.5505 | |
| 358 | N | B | -2.2358 | |
| 359 | Q | B | 0.0000 | |
| 360 | V | B | 0.0000 | |
| 361 | S | B | 0.0000 | |
| 362 | L | B | 0.0000 | |
| 363 | T | B | 0.0000 | |
| 364 | C | B | 0.0000 | |
| 365 | L | B | 0.0000 | |
| 366 | V | B | 0.0000 | |
| 367 | K | B | 0.0000 | |
| 368 | G | B | 0.0000 | |
| 369 | F | B | 0.0000 | |
| 370 | Y | B | -0.2209 | |
| 371 | P | B | -0.9679 | |
| 372 | S | B | -1.2204 | |
| 373 | D | B | -1.7123 | |
| 374 | I | B | -0.1344 | |
| 375 | A | B | -0.0968 | |
| 376 | V | B | -0.4355 | |
| 377 | E | B | -1.4573 | |
| 378 | W | B | 0.0000 | |
| 379 | E | B | -1.8657 | |
| 380 | S | B | -1.6008 | |
| 381 | D | B | -2.2855 | mutated: ND381B |
| 382 | G | B | -2.0221 | |
| 383 | E | B | 0.0000 | mutated: QE383B |
| 384 | P | B | -1.5199 | |
| 385 | E | B | -2.0259 | |
| 386 | D | B | 0.0000 | mutated: ND386B |
| 387 | D | B | -1.7783 | mutated: ND387B |
| 388 | Y | B | -0.4663 | |
| 389 | K | B | -0.5759 | |
| 390 | T | B | -0.1854 | |
| 391 | T | B | 0.0000 | |
| 392 | P | B | -0.0719 | |
| 393 | P | B | 0.2460 | |
| 394 | V | B | 0.0000 | |
| 395 | L | B | 1.3068 | |
| 396 | D | B | 0.3545 | |
| 397 | S | B | -0.6539 | |
| 398 | D | B | -1.0062 | |
| 399 | G | B | -0.5633 | |
| 400 | S | B | -0.0180 | |
| 401 | F | B | 0.5347 | |
| 402 | F | B | 0.0000 | |
| 403 | L | B | 0.0000 | |
| 404 | Y | B | 0.0000 | |
| 405 | S | B | 0.0000 | |
| 406 | R | B | 0.0000 | |
| 407 | L | B | 0.0000 | |
| 408 | T | B | 0.0000 | |
| 409 | V | B | 0.0000 | |
| 410 | D | B | -2.2601 | |
| 411 | K | B | -2.7949 | |
| 412 | S | B | -2.1637 | |
| 413 | R | B | -2.6161 | |
| 414 | W | B | -2.1133 | |
| 415 | Q | B | -2.8655 | |
| 416 | E | B | -3.2286 | |
| 417 | G | B | -2.0772 | |
| 418 | N | B | -1.1111 | |
| 419 | V | B | 0.7752 | |
| 420 | F | B | 0.0000 | |
| 421 | S | B | -1.1213 | |
| 422 | C | B | 0.0000 | |
| 423 | S | B | -0.8382 | |
| 424 | V | B | 0.0000 | |
| 425 | M | B | -0.1969 | |
| 426 | H | B | 0.0000 | |
| 427 | E | B | -0.9368 | |
| 428 | A | B | -0.0471 | |
| 429 | L | B | 0.8723 | |
| 430 | H | B | -0.4984 | |
| 431 | N | B | -1.0041 | |
| 432 | H | B | -0.7976 | |
| 433 | Y | B | 0.2650 | |
| 434 | T | B | 0.0000 | |
| 435 | Q | B | -1.2110 | |
| 436 | K | B | -1.1376 | |
| 437 | S | B | -0.4265 | |
| 438 | L | B | 0.0000 | |
| 439 | S | B | 0.2374 | |
| 440 | L | B | -0.0773 | |
| 441 | S | B | -0.9747 | |
| 1 | E | D | -1.7603 | |
| 2 | V | D | -0.6820 | |
| 3 | Q | D | -0.5337 | |
| 4 | L | D | 0.0000 | |
| 5 | V | D | 0.4165 | |
| 6 | E | D | 0.0000 | |
| 7 | S | D | -0.3580 | |
| 8 | G | D | -0.6617 | |
| 9 | G | D | -0.7595 | |
| 10 | G | D | -0.3298 | |
| 11 | L | D | 0.3695 | |
| 12 | V | D | 1.1566 | |
| 13 | Q | D | 0.5330 | |
| 14 | P | D | 0.0000 | |
| 15 | G | D | -0.3393 | |
| 16 | G | D | -0.6329 | |
| 17 | S | D | -0.7233 | |
| 18 | L | D | 0.0000 | |
| 19 | R | D | -1.1831 | |
| 20 | L | D | 0.0000 | |
| 21 | S | D | -0.4064 | |
| 22 | C | D | 0.0000 | |
| 23 | A | D | -0.1159 | |
| 24 | A | D | 0.0000 | |
| 25 | S | D | -0.0059 | |
| 26 | G | D | -0.0661 | |
| 27 | F | D | 0.6969 | |
| 28 | A | D | 0.1548 | |
| 29 | F | D | 0.0000 | |
| 30 | S | D | -0.4528 | |
| 31 | T | D | 0.2724 | |
| 32 | Y | D | 0.8084 | |
| 33 | D | D | 0.0000 | |
| 34 | M | D | 0.0000 | |
| 35 | S | D | 0.0000 | |
| 36 | W | D | 0.0000 | |
| 37 | V | D | 0.0000 | |
| 38 | R | D | 0.0000 | |
| 39 | Q | D | 0.0000 | |
| 40 | A | D | -0.8764 | |
| 41 | P | D | -1.4211 | |
| 42 | G | D | -1.5925 | |
| 43 | K | D | -1.8104 | |
| 44 | G | D | -0.9695 | |
| 45 | L | D | 0.0000 | |
| 46 | E | D | 0.0000 | |
| 47 | W | D | 0.0000 | |
| 48 | V | D | 0.0000 | |
| 49 | A | D | 0.0000 | |
| 50 | T | D | 0.0000 | |
| 51 | I | D | 0.0000 | |
| 52 | S | D | -0.0152 | |
| 53 | S | D | -0.3939 | |
| 54 | G | D | 0.0700 | |
| 55 | G | D | 0.5776 | |
| 56 | S | D | 0.0000 | |
| 57 | Y | D | 1.7889 | |
| 58 | T | D | 1.5018 | |
| 59 | Y | D | 1.9425 | |
| 60 | Y | D | 1.6282 | |
| 61 | L | D | 0.0380 | |
| 62 | D | D | -1.6276 | |
| 63 | S | D | -1.5302 | |
| 64 | V | D | 0.0000 | |
| 65 | K | D | -2.7035 | |
| 66 | G | D | -1.8699 | |
| 67 | R | D | -2.3147 | |
| 68 | F | D | -1.0289 | |
| 69 | T | D | -0.4943 | |
| 70 | I | D | 0.0659 | |
| 71 | S | D | -0.7948 | |
| 72 | R | D | -2.4051 | |
| 73 | D | D | -2.4050 | |
| 74 | S | D | -1.6136 | |
| 75 | S | D | -1.5048 | |
| 76 | K | D | -2.2996 | |
| 77 | N | D | -1.4422 | |
| 78 | T | D | -1.3657 | |
| 79 | L | D | 0.0000 | |
| 80 | Y | D | -0.4356 | |
| 81 | L | D | 0.0000 | |
| 82 | Q | D | -1.1062 | |
| 83 | M | D | 0.0000 | |
| 84 | N | D | -1.7377 | |
| 85 | S | D | -1.4155 | |
| 86 | L | D | -1.5398 | |
| 87 | R | D | -2.1392 | |
| 88 | A | D | -0.9592 | |
| 89 | E | D | -1.0782 | |
| 90 | D | D | -0.4169 | |
| 91 | T | D | -0.1458 | |
| 92 | A | D | 0.0000 | |
| 93 | V | D | 0.0285 | |
| 94 | Y | D | 0.0000 | |
| 95 | Y | D | 0.0000 | |
| 96 | C | D | 0.0000 | |
| 97 | A | D | 0.0000 | |
| 98 | P | D | 0.0000 | |
| 99 | T | D | 0.0000 | |
| 100 | T | D | 0.0000 | |
| 101 | V | D | 1.8455 | |
| 102 | V | D | 1.0151 | |
| 103 | P | D | 0.0000 | |
| 104 | F | D | 0.0000 | |
| 105 | A | D | 0.0000 | |
| 106 | Y | D | 0.0000 | |
| 107 | W | D | 0.1058 | |
| 108 | G | D | -0.3664 | |
| 109 | Q | D | -0.3053 | |
| 110 | G | D | -0.3564 | |
| 111 | T | D | 0.2534 | |
| 112 | L | D | 0.6337 | |
| 113 | V | D | 0.0000 | |
| 114 | T | D | 0.0000 | |
| 115 | V | D | 1.0418 | |
| 116 | S | D | 0.3340 | |
| 117 | S | D | 0.0350 | |
| 118 | A | D | 0.1708 | |
| 119 | S | D | -0.0980 | |
| 120 | T | D | -0.3703 | |
| 121 | K | D | -0.3597 | |
| 122 | G | D | -0.8189 | |
| 123 | P | D | -0.5650 | |
| 124 | S | D | -0.2315 | |
| 125 | V | D | -0.2797 | |
| 126 | F | D | 0.0000 | |
| 127 | P | D | -0.5915 | |
| 128 | L | D | 0.0000 | |
| 129 | A | D | 0.0000 | |
| 130 | P | D | 0.0000 | |
| 131 | C | D | 0.0000 | |
| 132 | S | D | 0.0000 | |
| 133 | R | D | 0.0000 | |
| 134 | S | D | -0.3615 | |
| 135 | T | D | -0.2289 | |
| 136 | S | D | -0.6628 | |
| 137 | E | D | 0.0000 | |
| 138 | S | D | -0.3602 | |
| 139 | T | D | -0.1288 | |
| 140 | A | D | 0.0000 | |
| 141 | A | D | 0.0000 | |
| 142 | L | D | 0.0000 | |
| 143 | G | D | -0.0562 | |
| 144 | C | D | 0.0000 | |
| 145 | L | D | 0.0000 | |
| 146 | V | D | 0.0000 | |
| 147 | K | D | 0.0000 | |
| 148 | D | D | -0.1984 | |
| 149 | Y | D | 0.0000 | |
| 150 | F | D | 0.4331 | |
| 151 | P | D | 0.0000 | |
| 152 | E | D | -0.9975 | |
| 153 | P | D | -0.8444 | |
| 154 | V | D | -0.5803 | |
| 155 | T | D | -0.5835 | |
| 156 | V | D | 0.0000 | |
| 157 | S | D | -0.7390 | |
| 158 | W | D | 0.0000 | |
| 159 | N | D | -1.4701 | |
| 160 | S | D | 0.0000 | |
| 161 | G | D | -1.4095 | |
| 162 | A | D | -0.6405 | |
| 163 | L | D | -0.3475 | |
| 164 | T | D | -0.4364 | |
| 165 | S | D | -0.5474 | |
| 166 | G | D | -0.5545 | |
| 167 | V | D | 0.0525 | |
| 168 | H | D | 0.0000 | |
| 169 | T | D | 0.0000 | |
| 170 | F | D | 1.0038 | |
| 171 | P | D | 0.5545 | |
| 172 | A | D | 0.6124 | |
| 173 | V | D | 0.8746 | |
| 174 | L | D | 1.5860 | |
| 175 | E | D | 0.4751 | mutated: QE175D |
| 176 | S | D | -0.1323 | |
| 177 | S | D | -0.2541 | |
| 178 | G | D | 0.2130 | |
| 179 | L | D | 0.8940 | |
| 180 | Y | D | 0.0000 | |
| 181 | S | D | 0.0000 | |
| 182 | L | D | 0.0000 | |
| 183 | S | D | 0.0000 | |
| 184 | S | D | 0.0000 | |
| 185 | V | D | 0.0000 | |
| 186 | V | D | 0.0000 | |
| 187 | T | D | 0.0000 | |
| 188 | V | D | 0.0000 | |
| 189 | P | D | -0.1002 | |
| 190 | S | D | 0.0000 | |
| 191 | S | D | -0.1490 | |
| 192 | S | D | -0.2105 | |
| 193 | L | D | 0.6936 | |
| 194 | G | D | -0.4745 | |
| 195 | T | D | 0.0000 | |
| 196 | K | D | -2.0572 | |
| 197 | T | D | -1.6810 | |
| 198 | Y | D | 0.0000 | |
| 199 | T | D | -1.9416 | |
| 200 | C | D | 0.0000 | |
| 201 | N | D | -1.9660 | |
| 202 | V | D | 0.0000 | |
| 203 | D | D | -1.8396 | |
| 204 | H | D | 0.0000 | |
| 205 | K | D | -2.2763 | |
| 206 | P | D | -1.5151 | |
| 207 | S | D | -1.5812 | |
| 208 | N | D | -2.3193 | |
| 209 | T | D | -1.9080 | |
| 210 | K | D | -2.6837 | |
| 211 | V | D | -1.8225 | |
| 212 | D | D | -2.6718 | |
| 213 | K | D | 0.0000 | |
| 214 | R | D | -2.4378 | |
| 215 | V | D | 0.0000 | |
| 216 | E | D | -1.2596 | |
| 217 | S | D | -1.2546 | |
| 218 | K | D | -1.6858 | |
| 219 | Y | D | -1.3412 | |
| 220 | G | D | -1.2251 | |
| 221 | P | D | -0.9973 | |
| 222 | P | D | -0.5572 | |
| 223 | C | D | 0.0000 | |
| 224 | P | D | 0.0000 | |
| 225 | P | D | 0.0000 | |
| 226 | C | D | 0.0000 | |
| 227 | P | D | -0.3958 | |
| 228 | A | D | 0.0000 | |
| 229 | P | D | -0.1096 | |
| 230 | E | D | -0.5835 | |
| 231 | F | D | 1.2176 | |
| 232 | L | D | 1.3782 | |
| 233 | G | D | 0.2719 | |
| 234 | G | D | -0.2680 | |
| 235 | P | D | -0.0508 | |
| 236 | S | D | -0.1178 | |
| 237 | V | D | 0.0000 | |
| 238 | F | D | 1.7178 | |
| 239 | L | D | 1.0662 | |
| 240 | F | D | 1.1764 | |
| 241 | P | D | 0.0939 | |
| 242 | P | D | -1.0293 | |
| 243 | K | D | -2.5156 | |
| 244 | P | D | -2.4686 | |
| 245 | K | D | -3.2095 | |
| 246 | D | D | -2.9291 | |
| 247 | T | D | -1.4297 | |
| 248 | L | D | -0.2977 | |
| 249 | M | D | 0.0000 | |
| 250 | I | D | -0.3423 | |
| 251 | S | D | -0.5309 | |
| 252 | R | D | -1.1162 | |
| 253 | T | D | -1.0797 | |
| 254 | P | D | 0.0000 | |
| 255 | E | D | -0.8854 | |
| 256 | V | D | 0.0000 | |
| 257 | T | D | 0.3372 | |
| 258 | C | D | 0.0000 | |
| 259 | V | D | 0.5471 | |
| 260 | V | D | 0.0000 | |
| 261 | V | D | -0.1978 | |
| 262 | D | D | -0.4626 | |
| 263 | V | D | 0.0000 | |
| 264 | S | D | 0.0000 | |
| 265 | Q | D | -1.6030 | |
| 266 | E | D | -2.2176 | |
| 267 | D | D | -1.9684 | |
| 268 | P | D | -2.1662 | |
| 269 | E | D | -2.7330 | |
| 270 | V | D | -1.6667 | |
| 271 | Q | D | -1.5167 | |
| 272 | F | D | 0.0000 | |
| 273 | N | D | -1.5360 | |
| 274 | W | D | 0.0000 | |
| 275 | Y | D | -1.0812 | |
| 276 | V | D | -0.7085 | |
| 277 | D | D | -2.0275 | |
| 278 | G | D | -0.8555 | |
| 279 | V | D | 0.4110 | |
| 280 | E | D | -1.3604 | |
| 281 | V | D | -0.5409 | |
| 282 | H | D | -1.4632 | |
| 283 | N | D | -1.5735 | |
| 284 | A | D | -1.3453 | |
| 285 | K | D | -2.1085 | |
| 286 | T | D | -1.9750 | |
| 287 | K | D | -2.5283 | |
| 288 | P | D | -2.0934 | |
| 289 | R | D | -2.6303 | |
| 290 | E | D | -2.5469 | |
| 291 | E | D | -2.8999 | |
| 292 | Q | D | -2.0415 | |
| 293 | F | D | -1.6662 | |
| 294 | N | D | -1.6712 | |
| 295 | S | D | -0.9612 | |
| 296 | T | D | -0.9968 | |
| 297 | Y | D | 0.0000 | |
| 298 | R | D | -1.6421 | |
| 299 | V | D | 0.0000 | |
| 300 | V | D | -0.8734 | |
| 301 | S | D | 0.0000 | |
| 302 | V | D | -0.5155 | |
| 303 | L | D | -0.0489 | |
| 304 | T | D | -0.4144 | |
| 305 | V | D | 0.0000 | |
| 306 | L | D | 0.5870 | |
| 307 | H | D | -0.6434 | |
| 308 | E | D | -1.9267 | mutated: QE308D |
| 309 | D | D | -1.5345 | |
| 310 | W | D | -1.1550 | |
| 311 | L | D | -1.2856 | |
| 312 | N | D | -2.2763 | |
| 313 | G | D | -2.4078 | |
| 314 | K | D | -2.1747 | |
| 315 | E | D | -2.1207 | |
| 316 | Y | D | 0.0000 | |
| 317 | K | D | -1.5099 | |
| 318 | C | D | 0.0000 | |
| 319 | K | D | -1.8103 | |
| 320 | V | D | 0.0000 | |
| 321 | S | D | -1.3129 | |
| 322 | N | D | 0.0000 | |
| 323 | K | D | -2.3116 | |
| 324 | G | D | -1.8973 | |
| 325 | L | D | -1.2038 | |
| 326 | P | D | -0.7302 | |
| 327 | S | D | -0.8571 | |
| 328 | S | D | -0.9618 | |
| 329 | I | D | -0.8276 | |
| 330 | E | D | -1.7498 | |
| 331 | K | D | -0.8905 | |
| 332 | T | D | -0.6305 | |
| 333 | I | D | -0.2475 | |
| 334 | S | D | -1.3379 | |
| 335 | K | D | -1.6708 | |
| 336 | A | D | -1.4222 | |
| 337 | K | D | -1.7395 | |
| 338 | G | D | -1.3539 | |
| 339 | Q | D | -1.2437 | |
| 340 | P | D | -1.2490 | |
| 341 | R | D | -1.5324 | |
| 342 | E | D | -2.1409 | |
| 343 | P | D | 0.0000 | |
| 344 | Q | D | -1.5255 | |
| 345 | V | D | -0.7242 | |
| 346 | Y | D | 0.0000 | |
| 347 | T | D | 0.0029 | |
| 348 | L | D | 0.0000 | |
| 349 | P | D | 0.0000 | |
| 350 | P | D | -0.1464 | |
| 351 | S | D | -0.5711 | |
| 352 | Q | D | -1.1046 | |
| 353 | E | D | -1.9612 | |
| 354 | E | D | -1.1147 | |
| 355 | M | D | -0.2587 | |
| 356 | T | D | -1.3728 | |
| 357 | K | D | -2.5234 | |
| 358 | N | D | -2.4832 | |
| 359 | Q | D | 0.0000 | |
| 360 | V | D | 0.0000 | |
| 361 | S | D | 0.0000 | |
| 362 | L | D | 0.0000 | |
| 363 | T | D | 0.0000 | |
| 364 | C | D | 0.0000 | |
| 365 | L | D | 0.0000 | |
| 366 | V | D | 0.0000 | |
| 367 | K | D | 0.0000 | |
| 368 | G | D | -1.2932 | |
| 369 | F | D | -1.0533 | |
| 370 | Y | D | 0.0000 | |
| 371 | P | D | -0.8452 | |
| 372 | S | D | -0.8185 | |
| 373 | D | D | -0.8842 | |
| 374 | I | D | 0.0000 | |
| 375 | A | D | -0.1828 | |
| 376 | V | D | 0.0000 | |
| 377 | E | D | -1.1137 | |
| 378 | W | D | 0.0000 | |
| 379 | E | D | -1.5842 | |
| 380 | S | D | 0.0000 | |
| 381 | D | D | -1.2215 | mutated: ND381D |
| 382 | G | D | -1.8150 | |
| 383 | E | D | -2.8354 | mutated: QE383D |
| 384 | P | D | -2.2201 | |
| 385 | E | D | -2.6483 | |
| 386 | D | D | -3.0228 | mutated: ND386D |
| 387 | D | D | -1.9478 | mutated: ND387D |
| 388 | Y | D | -0.7183 | |
| 389 | K | D | 0.0488 | |
| 390 | T | D | -0.0064 | |
| 391 | T | D | 0.0000 | |
| 392 | P | D | 0.0772 | |
| 393 | P | D | -0.0809 | |
| 394 | V | D | 0.0698 | |
| 395 | L | D | -0.6780 | |
| 396 | D | D | -2.0708 | |
| 397 | S | D | -1.5984 | |
| 398 | D | D | -1.8923 | |
| 399 | G | D | -1.3363 | |
| 400 | S | D | -1.0158 | |
| 401 | F | D | 0.0000 | |
| 402 | F | D | 0.0000 | |
| 403 | L | D | 0.0000 | |
| 404 | Y | D | 0.0000 | |
| 405 | S | D | 0.0000 | |
| 406 | R | D | 0.0000 | |
| 407 | L | D | 0.0000 | |
| 408 | T | D | -0.8165 | |
| 409 | V | D | 0.0000 | |
| 410 | D | D | -1.8623 | |
| 411 | K | D | -2.4524 | |
| 412 | S | D | -2.1086 | |
| 413 | R | D | -2.7140 | |
| 414 | W | D | -1.6271 | |
| 415 | Q | D | -2.5962 | |
| 416 | E | D | -2.8758 | |
| 417 | G | D | -1.6931 | |
| 418 | N | D | -0.5906 | |
| 419 | V | D | 1.2823 | |
| 420 | F | D | 1.4226 | |
| 421 | S | D | 0.1394 | |
| 422 | C | D | 0.0000 | |
| 423 | S | D | 0.0000 | |
| 424 | V | D | 0.0000 | |
| 425 | M | D | -0.1456 | |
| 426 | H | D | 0.0000 | |
| 427 | E | D | 0.0000 | |
| 428 | A | D | -0.6036 | |
| 429 | L | D | 0.2946 | |
| 430 | H | D | -0.7664 | |
| 431 | N | D | -1.1459 | |
| 432 | H | D | -0.6645 | |
| 433 | Y | D | -0.2140 | |
| 434 | T | D | -0.9552 | |
| 435 | Q | D | -1.1909 | |
| 436 | K | D | 0.0000 | |
| 437 | S | D | 0.0689 | |
| 438 | L | D | 0.0000 | |
| 439 | S | D | 0.7008 | |
| 440 | L | D | 1.0112 | |
| 441 | S | D | 0.1915 |
CABS-flex predictions of flexibility of input structure
In dynamic mode, A3D analysis is performed on the set of models reflecting fluctuations of the input structure (predicted
by CABS-flex method, models are numbered from 0 to 11) and the input model.
Their A3D scores are provided below in the table.
The right panel presents comparison of the most aggregation prone model (with the highest A3D score, -0.5962 in this case) with the input model
(the most aggregation prone model in blue, input in red) and RMSF plot which shows the extent of residue fluctuations in Angstroms (predicted by CABS-flex).
Model |
Average A3D Score |
|||
| model_3 | -0.5962 | View | CSV | PDB |
| model_8 | -0.6194 | View | CSV | PDB |
| model_5 | -0.6237 | View | CSV | PDB |
| model_10 | -0.6277 | View | CSV | PDB |
| model_11 | -0.6302 | View | CSV | PDB |
| model_4 | -0.6383 | View | CSV | PDB |
| model_7 | -0.6557 | View | CSV | PDB |
| model_9 | -0.6562 | View | CSV | PDB |
| model_0 | -0.6601 | View | CSV | PDB |
| model_1 | -0.6645 | View | CSV | PDB |
| model_6 | -0.6648 | View | CSV | PDB |
| model_2 | -0.6843 | View | CSV | PDB |
| input | -0.7173 | 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