| 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 (00:00:05)
[INFO] FoldX: Building mutant model (00:00:06)
[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] (00:00:00)
[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 (00:00:01)
[INFO] FoldX: Building mutant model (00:44:42)
[INFO] FoldX: Starting FoldX energy minimalization (00:48:52)
[INFO] CABS: Running CABS flex simulation (01:08:02)
[INFO] Analysis: Starting Aggrescan3D on model_10.pdb (13:24:04)
[INFO] Analysis: Starting Aggrescan3D on model_7.pdb (13:24:52)
[INFO] Analysis: Starting Aggrescan3D on model_9.pdb (13:25:34)
[INFO] Analysis: Starting Aggrescan3D on model_8.pdb (13:26:17)
[INFO] Analysis: Starting Aggrescan3D on model_11.pdb (13:27:00)
[INFO] Analysis: Starting Aggrescan3D on model_6.pdb (13:27:41)
[INFO] Analysis: Starting Aggrescan3D on model_4.pdb (13:28:21)
[INFO] Analysis: Starting Aggrescan3D on model_2.pdb (13:29:04)
[INFO] Analysis: Starting Aggrescan3D on model_5.pdb (13:29:46)
[INFO] Analysis: Starting Aggrescan3D on model_1.pdb (13:30:26)
[INFO] Analysis: Starting Aggrescan3D on model_0.pdb (13:31:07)
[INFO] Analysis: Starting Aggrescan3D on model_3.pdb (13:31:49)
[INFO] Analysis: Starting Aggrescan3D on input.pdb (13:32:30)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (13:33:46)
[INFO] Movie: Creting movie with webm format (13:48:53)
[INFO] Main: Simulation completed successfully. (13:49:44)
|
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 | -2.1537 | |
| 2 | I | A | 0.0000 | |
| 3 | Q | A | -1.7279 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -1.0626 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.5383 | |
| 8 | P | A | -0.4110 | |
| 9 | S | A | -0.4966 | |
| 10 | S | A | -0.5770 | |
| 11 | L | A | -0.3409 | |
| 12 | S | A | -0.5147 | |
| 13 | A | A | 0.0000 | |
| 14 | S | A | -1.2934 | |
| 15 | V | A | -0.9190 | |
| 16 | G | A | -1.5616 | |
| 17 | D | A | -2.4931 | |
| 18 | R | A | -2.3962 | |
| 19 | V | A | 0.0000 | |
| 20 | T | A | -0.6519 | |
| 21 | I | A | 0.0000 | |
| 22 | T | A | -0.4050 | |
| 23 | C | A | 0.0000 | |
| 24 | K | A | -1.3943 | |
| 25 | A | A | -0.8484 | |
| 26 | S | A | -1.1929 | |
| 27 | Q | A | -1.7526 | |
| 28 | N | A | -0.5504 | |
| 29 | V | A | 1.4472 | |
| 30 | R | A | 0.9108 | |
| 31 | T | A | 0.6420 | |
| 32 | V | A | 0.8640 | |
| 33 | V | A | 0.8530 | |
| 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 | -1.6260 | |
| 40 | P | A | -1.5220 | |
| 41 | G | A | -1.4999 | |
| 42 | K | A | -1.4766 | |
| 43 | A | A | 0.0000 | |
| 44 | P | A | -0.7176 | |
| 45 | K | A | -0.7141 | |
| 46 | T | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | I | A | 1.0405 | |
| 49 | Y | A | 0.0000 | |
| 50 | L | A | 0.6974 | |
| 51 | A | A | -0.2181 | |
| 52 | S | A | -0.7983 | |
| 53 | N | A | -1.7205 | |
| 54 | R | A | -2.1097 | |
| 55 | H | A | -1.7043 | |
| 56 | T | A | -0.7156 | |
| 57 | G | A | -0.4131 | |
| 58 | V | A | 0.0267 | |
| 59 | P | A | -0.2342 | |
| 60 | S | A | -0.2837 | |
| 61 | R | A | -0.1445 | |
| 62 | F | A | 0.8228 | |
| 63 | S | A | 0.1118 | |
| 64 | G | A | -0.2514 | |
| 65 | S | A | -0.5332 | |
| 66 | G | A | -0.8179 | |
| 67 | S | A | -0.7909 | |
| 68 | G | A | -0.8919 | |
| 69 | T | A | -0.6577 | |
| 70 | D | A | -0.9958 | |
| 71 | F | A | -0.2741 | |
| 72 | T | A | -0.3856 | |
| 73 | L | A | 0.0000 | |
| 74 | T | A | -0.2453 | |
| 75 | I | A | 0.0000 | |
| 76 | S | A | -0.7997 | |
| 77 | S | A | -0.7410 | |
| 78 | L | A | -0.8501 | |
| 79 | Q | A | -0.9528 | |
| 80 | P | A | -1.2474 | |
| 81 | E | A | -1.5535 | |
| 82 | D | A | -1.9593 | |
| 83 | F | A | 0.0000 | |
| 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 | 0.0000 | |
| 92 | W | A | 1.1336 | |
| 93 | S | A | 0.5653 | |
| 94 | Y | A | 0.0000 | |
| 95 | P | A | 0.4821 | |
| 96 | L | A | 0.0000 | |
| 97 | T | A | -0.7195 | |
| 98 | F | A | 0.0000 | |
| 99 | G | A | -1.3952 | |
| 100 | Q | A | -1.2910 | |
| 101 | G | A | -1.4479 | |
| 102 | T | A | 0.0000 | |
| 103 | K | A | -1.1885 | |
| 104 | V | A | 0.0000 | |
| 105 | E | A | -0.8044 | |
| 106 | I | A | 0.0000 | |
| 107 | K | A | -1.7431 | |
| 108 | R | A | -1.9110 | |
| 109 | T | A | -0.3887 | |
| 110 | V | A | 1.5210 | |
| 111 | A | A | 0.4906 | |
| 112 | A | A | 0.2053 | |
| 113 | P | A | 0.0000 | |
| 114 | S | A | -0.1524 | |
| 115 | V | A | 0.0361 | |
| 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 | -1.4230 | |
| 122 | D | A | -2.2793 | |
| 123 | E | A | -2.4200 | |
| 124 | Q | A | -0.9940 | |
| 125 | L | A | 0.4616 | |
| 126 | K | A | 0.0789 | |
| 127 | S | A | -0.3148 | |
| 128 | G | A | -0.8340 | |
| 129 | T | A | -0.7641 | |
| 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 | -0.2226 | |
| 139 | F | A | 0.0000 | |
| 140 | Y | A | -1.0206 | |
| 141 | P | A | -0.8067 | |
| 142 | R | A | -1.5568 | |
| 143 | E | A | -2.0486 | |
| 144 | A | A | 0.0000 | |
| 145 | K | A | -2.6822 | |
| 146 | V | A | 0.0000 | |
| 147 | Q | A | -1.8612 | |
| 148 | W | A | -0.9284 | |
| 149 | K | A | -1.4108 | |
| 150 | V | A | -1.5428 | |
| 151 | D | A | -2.6956 | |
| 152 | N | A | -1.9318 | |
| 153 | A | A | 0.0000 | |
| 154 | L | A | 0.6959 | |
| 155 | Q | A | -0.0509 | |
| 156 | S | A | -0.0606 | |
| 157 | G | A | -0.4650 | |
| 158 | N | A | 0.0000 | |
| 159 | S | A | -0.6421 | |
| 160 | Q | A | -1.3417 | |
| 161 | E | A | -1.9871 | |
| 162 | S | A | 0.0000 | |
| 163 | V | A | 0.6458 | |
| 164 | T | A | 0.0000 | |
| 165 | E | A | -0.6826 | |
| 166 | Q | A | -1.5502 | |
| 167 | D | A | -2.8519 | |
| 168 | S | A | -1.8660 | |
| 169 | K | A | -2.3255 | |
| 170 | D | A | -3.1418 | |
| 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 | 0.0000 | |
| 179 | L | A | 0.0000 | |
| 180 | T | A | 0.0000 | |
| 181 | L | A | 0.0000 | |
| 182 | S | A | -1.6213 | |
| 183 | K | A | -2.5986 | |
| 184 | A | A | -1.9206 | |
| 185 | D | A | -2.5187 | |
| 186 | Y | A | 0.0000 | |
| 187 | E | A | -3.5341 | |
| 188 | K | A | -3.7357 | |
| 189 | H | A | 0.0000 | |
| 190 | K | A | -3.1738 | |
| 191 | V | A | -1.9016 | |
| 192 | Y | A | 0.0000 | |
| 193 | A | A | -0.9525 | |
| 194 | C | A | 0.0000 | |
| 195 | E | A | -1.0794 | |
| 196 | V | A | 0.0000 | |
| 197 | T | A | -1.4019 | |
| 198 | H | A | -1.3150 | |
| 199 | Q | A | -1.5572 | |
| 200 | G | A | -0.5353 | |
| 201 | L | A | 0.9222 | |
| 202 | S | A | -0.0423 | |
| 203 | S | A | -0.4548 | |
| 204 | P | A | -0.7529 | |
| 205 | V | A | 0.0900 | |
| 206 | T | A | -0.0700 | |
| 207 | K | A | 0.0000 | |
| 208 | S | A | -0.6974 | |
| 209 | F | A | 0.0000 | |
| 210 | N | A | -2.4257 | |
| 211 | R | A | -2.3375 | |
| 212 | G | A | -2.1195 | |
| 213 | E | A | -2.1681 | |
| 214 | C | A | -1.1478 | |
| 1 | D | C | -2.9697 | |
| 2 | I | C | 0.0000 | |
| 3 | Q | C | -2.5491 | |
| 4 | M | C | 0.0000 | |
| 5 | T | C | -1.1416 | |
| 6 | Q | C | 0.0000 | |
| 7 | S | C | -0.7389 | |
| 8 | P | C | -0.4503 | |
| 9 | S | C | -0.5828 | |
| 10 | S | C | -0.5526 | |
| 11 | L | C | -0.3313 | |
| 12 | S | C | -0.7687 | |
| 13 | A | C | 0.0000 | |
| 14 | S | C | -1.5623 | |
| 15 | V | C | -1.4915 | |
| 16 | G | C | -1.8544 | |
| 17 | D | C | -2.8030 | |
| 18 | R | C | -2.9343 | |
| 19 | V | C | 0.0000 | |
| 20 | T | C | -0.8292 | |
| 21 | I | C | 0.0000 | |
| 22 | T | C | -0.9504 | |
| 23 | C | C | 0.0000 | |
| 24 | K | C | -2.7957 | |
| 25 | A | C | 0.0000 | |
| 26 | S | C | -2.5966 | |
| 27 | Q | C | -3.1452 | |
| 28 | N | C | -2.7267 | |
| 29 | V | C | -2.2908 | |
| 30 | R | C | -2.6276 | |
| 31 | T | C | -1.5425 | |
| 32 | V | C | 0.0278 | |
| 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 | -2.0067 | |
| 40 | P | C | -1.4709 | |
| 41 | G | C | -1.7558 | |
| 42 | K | C | -2.4116 | |
| 43 | A | C | 0.0000 | |
| 44 | P | C | 0.0000 | |
| 45 | K | C | -0.9161 | |
| 46 | T | C | 0.0000 | |
| 47 | L | C | 0.0000 | |
| 48 | I | C | 0.0000 | |
| 49 | Y | C | 0.0000 | |
| 50 | L | C | -0.5231 | |
| 51 | A | C | -0.3249 | |
| 52 | S | C | -0.9315 | |
| 53 | N | C | -2.1888 | |
| 54 | R | C | -3.0723 | |
| 55 | H | C | -2.1191 | |
| 56 | T | C | 0.0000 | |
| 57 | G | C | -0.5082 | |
| 58 | V | C | 0.9905 | |
| 59 | P | C | 0.3049 | |
| 60 | S | C | -0.5940 | |
| 61 | R | C | -0.8022 | |
| 62 | F | C | 0.0000 | |
| 63 | S | C | -0.5894 | |
| 64 | G | C | -0.5904 | |
| 65 | S | C | -0.8130 | |
| 66 | G | C | -1.4122 | |
| 67 | S | C | -1.2629 | |
| 68 | G | C | -1.4673 | |
| 69 | T | C | -1.9272 | |
| 70 | D | C | -2.6723 | |
| 71 | F | C | -1.6232 | |
| 72 | T | C | -1.0613 | |
| 73 | L | C | 0.0000 | |
| 74 | T | C | -0.6370 | |
| 75 | I | C | 0.0000 | |
| 76 | S | C | -1.4073 | |
| 77 | S | C | -1.5601 | |
| 78 | L | C | 0.0000 | |
| 79 | Q | C | -1.9346 | |
| 80 | P | C | -1.6174 | |
| 81 | E | C | -2.4329 | |
| 82 | D | C | 0.0000 | |
| 83 | F | C | 0.0000 | |
| 84 | A | C | -1.0827 | |
| 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 | 0.8658 | |
| 93 | S | C | -0.3530 | |
| 94 | Y | C | 0.0000 | |
| 95 | P | C | -0.3945 | |
| 96 | L | C | 0.0000 | |
| 97 | T | C | -0.6438 | |
| 98 | F | C | 0.0000 | |
| 99 | G | C | -0.9839 | |
| 100 | Q | C | -0.6238 | |
| 101 | G | C | -0.8247 | |
| 102 | T | C | 0.0000 | |
| 103 | K | C | -0.9997 | |
| 104 | V | C | 0.0000 | |
| 105 | E | C | 0.0000 | |
| 106 | I | C | -0.7088 | |
| 107 | K | C | -1.4875 | |
| 108 | R | C | -2.1137 | |
| 109 | T | C | -0.6373 | |
| 110 | V | C | 0.0997 | |
| 111 | A | C | 0.1118 | |
| 112 | A | C | -0.3311 | |
| 113 | P | C | -0.4633 | |
| 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 | 0.0000 | |
| 121 | S | C | 0.0000 | |
| 122 | D | C | -1.8694 | |
| 123 | E | C | -2.5293 | |
| 124 | Q | C | 0.0000 | |
| 125 | L | C | -1.6020 | |
| 126 | K | C | -2.5318 | |
| 127 | S | C | -1.7533 | |
| 128 | G | C | -1.4228 | |
| 129 | T | C | -0.9942 | |
| 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 | -1.0668 | |
| 139 | F | C | 0.0000 | |
| 140 | Y | C | 0.0000 | |
| 141 | P | C | -1.0013 | |
| 142 | R | C | -1.1648 | |
| 143 | E | C | -1.8706 | |
| 144 | A | C | 0.0000 | |
| 145 | K | C | -2.5057 | |
| 146 | V | C | -1.6006 | |
| 147 | Q | C | -1.4996 | |
| 148 | W | C | -0.9755 | |
| 149 | K | C | -1.2671 | |
| 150 | V | C | -1.0099 | |
| 151 | D | C | -2.3083 | |
| 152 | N | C | -2.7389 | |
| 153 | A | C | -2.0297 | |
| 154 | L | C | 0.0000 | |
| 155 | Q | C | -1.5919 | |
| 156 | S | C | 0.0000 | |
| 157 | G | C | -1.0973 | |
| 158 | N | C | -1.3399 | |
| 159 | S | C | -1.1760 | |
| 160 | Q | C | 0.0000 | |
| 161 | E | C | -1.9625 | |
| 162 | S | C | 0.0000 | |
| 163 | V | C | -0.4930 | |
| 164 | T | C | 0.0000 | |
| 165 | E | C | -1.0820 | |
| 166 | Q | C | -1.5189 | |
| 167 | D | C | -1.4019 | |
| 168 | S | C | -1.3921 | |
| 169 | K | C | -2.3814 | |
| 170 | D | C | -2.8533 | |
| 171 | S | C | 0.0000 | |
| 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 | -0.5314 | |
| 181 | L | C | -0.9019 | |
| 182 | S | C | -1.2050 | |
| 183 | K | C | -2.0384 | |
| 184 | A | C | -1.6436 | |
| 185 | D | C | -2.6583 | |
| 186 | Y | C | 0.0000 | |
| 187 | E | C | -2.4310 | |
| 188 | K | C | -3.0552 | |
| 189 | H | C | 0.0000 | |
| 190 | K | C | -1.9012 | |
| 191 | V | C | 0.0000 | |
| 192 | Y | C | 0.0000 | |
| 193 | A | C | -0.7894 | |
| 194 | C | C | 0.0000 | |
| 195 | E | C | -1.1355 | |
| 196 | V | C | 0.0000 | |
| 197 | T | C | -1.4705 | |
| 198 | H | C | -1.5548 | |
| 199 | Q | C | -1.8459 | |
| 200 | G | C | -1.0147 | |
| 201 | L | C | -0.2427 | |
| 202 | S | C | -0.6825 | |
| 203 | S | C | -0.5016 | |
| 204 | P | C | -0.6545 | |
| 205 | V | C | -0.2023 | |
| 206 | T | C | -0.5558 | |
| 207 | K | C | 0.0000 | |
| 208 | S | C | 0.0000 | |
| 209 | F | C | 0.0000 | |
| 210 | N | C | -0.8044 | |
| 211 | R | C | -1.1416 | |
| 212 | G | C | -0.5628 | |
| 213 | E | C | 0.0000 | |
| 214 | C | C | 0.0000 | |
| 1 | E | B | -2.2867 | |
| 2 | V | B | -0.9352 | |
| 3 | Q | B | -0.7187 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 1.1559 | |
| 6 | E | B | 0.0818 | |
| 7 | S | B | -0.1660 | |
| 8 | G | B | -0.5935 | |
| 9 | G | B | -0.6758 | |
| 10 | G | B | 0.1245 | |
| 11 | L | B | 1.1243 | |
| 12 | V | B | 1.5845 | |
| 13 | Q | B | 0.2048 | |
| 14 | P | B | -0.3910 | |
| 15 | G | B | -0.4980 | |
| 16 | G | B | -0.1812 | |
| 17 | S | B | -0.7852 | |
| 18 | L | B | 0.0000 | |
| 19 | R | B | -2.0467 | |
| 20 | L | B | 0.0000 | |
| 21 | S | B | -0.3140 | |
| 22 | C | B | 0.0000 | |
| 23 | A | B | -0.0917 | |
| 24 | A | B | -0.2649 | |
| 25 | S | B | -0.4962 | |
| 26 | G | B | -0.9962 | |
| 27 | F | B | 0.0000 | |
| 28 | A | B | -0.7000 | |
| 29 | F | B | -0.2847 | |
| 30 | S | B | -0.2325 | |
| 31 | T | B | -0.2860 | |
| 32 | Y | B | 0.0000 | |
| 33 | D | B | 0.0000 | |
| 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 | -1.3381 | |
| 41 | P | B | -1.3273 | |
| 42 | G | B | -1.5849 | |
| 43 | K | B | -2.4357 | |
| 44 | G | B | 0.0000 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -0.8441 | |
| 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 | -0.0197 | |
| 53 | S | B | -0.4537 | |
| 54 | G | B | -0.6330 | |
| 55 | G | B | -0.5678 | |
| 56 | S | B | 0.0356 | |
| 57 | Y | B | 1.2138 | |
| 58 | T | B | 0.7932 | |
| 59 | Y | B | 1.4304 | |
| 60 | Y | B | 1.3453 | |
| 61 | L | B | 0.4747 | |
| 62 | D | B | -0.0938 | |
| 63 | S | B | -0.0196 | |
| 64 | V | B | 1.2433 | |
| 65 | K | B | -0.0610 | |
| 66 | G | B | -0.2848 | |
| 67 | R | B | -0.3361 | |
| 68 | F | B | 0.0000 | |
| 69 | T | B | 0.1179 | |
| 70 | I | B | 0.0000 | |
| 71 | S | B | -0.8455 | |
| 72 | R | B | -1.8491 | |
| 73 | D | B | -2.0666 | |
| 74 | S | B | -1.4722 | |
| 75 | S | B | -1.5123 | |
| 76 | K | B | -2.2588 | |
| 77 | N | B | -1.4588 | |
| 78 | T | B | 0.0000 | |
| 79 | L | B | 0.0000 | |
| 80 | Y | B | -0.5352 | |
| 81 | L | B | 0.0000 | |
| 82 | Q | B | -1.0550 | |
| 83 | M | B | 0.0000 | |
| 84 | N | B | -0.8457 | |
| 85 | S | B | 0.0833 | |
| 86 | L | B | 1.2675 | |
| 87 | R | B | 0.0000 | |
| 88 | A | B | -0.3844 | |
| 89 | E | B | -1.1120 | |
| 90 | D | B | -2.0154 | |
| 91 | T | B | -0.7514 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | 0.0000 | |
| 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 | -0.5114 | |
| 101 | V | B | 0.0656 | |
| 102 | V | B | 0.0000 | |
| 103 | P | B | 0.0000 | |
| 104 | F | B | 0.0000 | |
| 105 | A | B | 0.0000 | |
| 106 | Y | B | 0.0681 | |
| 107 | W | B | 0.0000 | |
| 108 | G | B | 0.0000 | |
| 109 | Q | B | -0.9713 | |
| 110 | G | B | -0.5943 | |
| 111 | T | B | 0.0000 | |
| 112 | L | B | 0.2590 | |
| 113 | V | B | 0.0000 | |
| 114 | T | B | 0.0293 | |
| 115 | V | B | 0.0000 | |
| 116 | S | B | 0.0617 | |
| 117 | S | B | 0.1302 | |
| 118 | A | B | 0.6373 | |
| 119 | S | B | 0.6710 | |
| 120 | T | B | 0.1367 | |
| 121 | K | B | -0.6000 | |
| 122 | G | B | -1.2478 | |
| 123 | P | B | -0.2400 | |
| 124 | S | B | 0.1140 | |
| 125 | V | B | 0.0000 | |
| 126 | F | B | 0.0000 | |
| 127 | P | B | -0.9917 | |
| 128 | L | B | 0.0000 | |
| 129 | A | B | 0.0000 | |
| 130 | P | B | 0.0000 | |
| 131 | C | B | 0.0000 | |
| 132 | S | B | -1.3756 | |
| 133 | R | B | -2.3246 | |
| 134 | S | B | -1.5463 | |
| 135 | T | B | 0.0000 | |
| 136 | S | B | -1.0282 | |
| 137 | E | B | -1.5970 | |
| 138 | S | B | 0.0000 | |
| 139 | T | B | -0.7538 | |
| 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 | 0.3781 | |
| 149 | Y | B | 0.0000 | |
| 150 | F | B | 2.0699 | |
| 151 | P | B | 0.9844 | |
| 152 | E | B | 0.0000 | |
| 153 | P | B | -0.1039 | |
| 154 | V | B | 0.0000 | |
| 155 | T | B | -0.7272 | |
| 156 | V | B | 0.0000 | |
| 157 | S | B | -0.9071 | |
| 158 | W | B | -0.8299 | |
| 159 | N | B | -1.5657 | |
| 160 | S | B | -1.0686 | |
| 161 | G | B | -0.6537 | |
| 162 | A | B | -0.2841 | |
| 163 | L | B | -0.0019 | |
| 164 | T | B | -0.1111 | |
| 165 | S | B | -0.3170 | |
| 166 | G | B | 0.0000 | |
| 167 | V | B | -0.2283 | |
| 168 | H | B | 0.0000 | |
| 169 | T | B | 0.0000 | |
| 170 | F | B | 0.6163 | |
| 171 | P | B | 0.3290 | |
| 172 | A | B | 0.6468 | |
| 173 | V | B | 0.0000 | |
| 174 | L | B | 0.8254 | |
| 175 | E | B | 0.0000 | mutated: QE175B |
| 176 | S | B | -0.2160 | |
| 177 | S | B | 0.1548 | |
| 178 | G | B | 0.8644 | |
| 179 | L | B | 1.8584 | |
| 180 | Y | B | 0.0000 | |
| 181 | S | B | 0.0000 | |
| 182 | L | B | 0.0000 | |
| 183 | S | B | 0.1149 | |
| 184 | S | B | 0.0000 | |
| 185 | V | B | 0.0000 | |
| 186 | V | B | 0.3230 | |
| 187 | T | B | 0.0000 | |
| 188 | V | B | 0.0000 | |
| 189 | P | B | -0.4464 | |
| 190 | S | B | -0.5295 | |
| 191 | S | B | -0.4222 | |
| 192 | S | B | -0.3212 | |
| 193 | L | B | -0.3960 | |
| 194 | G | B | -0.7699 | |
| 195 | T | B | -0.7397 | |
| 196 | K | B | -1.1179 | |
| 197 | T | B | 0.0000 | |
| 198 | Y | B | 0.0000 | |
| 199 | T | B | -1.6449 | |
| 200 | C | B | 0.0000 | |
| 201 | N | B | -2.1081 | |
| 202 | V | B | 0.0000 | |
| 203 | D | B | -2.6162 | |
| 204 | H | B | 0.0000 | |
| 205 | K | B | -2.6754 | |
| 206 | P | B | -1.5330 | |
| 207 | S | B | -1.6848 | |
| 208 | N | B | -2.5557 | |
| 209 | T | B | -2.2503 | |
| 210 | K | B | -2.9912 | |
| 211 | V | B | -1.9449 | |
| 212 | D | B | -2.6993 | |
| 213 | K | B | -1.9869 | |
| 214 | R | B | -1.8889 | |
| 215 | V | B | 0.0000 | |
| 216 | E | B | 0.0000 | |
| 217 | S | B | 0.0000 | |
| 218 | K | B | 0.0000 | |
| 219 | Y | B | -0.4569 | |
| 220 | G | B | -0.0709 | |
| 221 | P | B | 0.0000 | |
| 222 | P | B | 0.0000 | |
| 223 | C | B | 0.0000 | |
| 224 | P | B | -0.6526 | |
| 225 | P | B | 0.0000 | |
| 226 | C | B | 0.1331 | |
| 227 | P | B | 0.0000 | |
| 228 | A | B | -0.0711 | |
| 229 | P | B | -0.0267 | |
| 230 | E | B | 0.0000 | |
| 231 | F | B | 0.0000 | |
| 232 | L | B | 0.0000 | |
| 233 | G | B | -0.1864 | |
| 234 | G | B | 0.0000 | |
| 235 | P | B | 0.0000 | |
| 236 | S | B | 0.5468 | |
| 237 | V | B | 1.4196 | |
| 238 | F | B | 2.4784 | |
| 239 | L | B | 0.0000 | |
| 240 | F | B | 1.6974 | |
| 241 | P | B | 0.0000 | |
| 242 | P | B | -0.8847 | |
| 243 | K | B | -2.3412 | |
| 244 | P | B | -2.3980 | |
| 245 | K | B | -3.0402 | |
| 246 | D | B | -2.9861 | |
| 247 | T | B | 0.0000 | |
| 248 | L | B | 1.3368 | |
| 249 | M | B | 1.7035 | |
| 250 | I | B | 2.2456 | |
| 251 | S | B | 0.0000 | |
| 252 | R | B | -1.6268 | |
| 253 | T | B | -0.7508 | |
| 254 | P | B | 0.0000 | |
| 255 | E | B | -1.4676 | |
| 256 | V | B | 0.0000 | |
| 257 | T | B | 0.4980 | |
| 258 | C | B | 0.0000 | |
| 259 | V | B | 1.5248 | |
| 260 | V | B | 0.0000 | |
| 261 | V | B | 1.7504 | |
| 262 | D | B | 0.0000 | |
| 263 | V | B | 0.6411 | |
| 264 | S | B | 0.0000 | |
| 265 | Q | B | -0.8503 | |
| 266 | E | B | -1.6791 | |
| 267 | D | B | -1.6957 | |
| 268 | P | B | -1.8064 | |
| 269 | E | B | -2.4009 | |
| 270 | V | B | 0.0000 | |
| 271 | Q | B | -1.1622 | |
| 272 | F | B | 0.0000 | |
| 273 | N | B | -1.0694 | |
| 274 | W | B | 0.0000 | |
| 275 | Y | B | -0.5868 | |
| 276 | V | B | 0.0000 | |
| 277 | D | B | -1.3851 | |
| 278 | G | B | -0.7632 | |
| 279 | V | B | -0.3433 | |
| 280 | E | B | -1.4569 | |
| 281 | V | B | -1.2159 | |
| 282 | H | B | -1.6978 | |
| 283 | N | B | -1.2941 | |
| 284 | A | B | 0.0000 | |
| 285 | K | B | -1.9129 | |
| 286 | T | B | -1.4064 | |
| 287 | K | B | -1.8066 | |
| 288 | P | B | -2.1936 | |
| 289 | R | B | -2.3863 | |
| 290 | E | B | -3.0889 | |
| 291 | E | B | -2.2868 | |
| 292 | Q | B | -1.7660 | |
| 293 | F | B | 0.0141 | |
| 294 | N | B | -1.6915 | |
| 295 | S | B | -1.2579 | |
| 296 | T | B | 0.0000 | |
| 297 | Y | B | 0.0000 | |
| 298 | R | B | -0.9377 | |
| 299 | V | B | 0.0000 | |
| 300 | V | B | -0.6432 | |
| 301 | S | B | 0.0000 | |
| 302 | V | B | -0.4449 | |
| 303 | L | B | 0.0000 | |
| 304 | T | B | -0.5511 | |
| 305 | V | B | 0.0000 | |
| 306 | L | B | 0.2970 | |
| 307 | H | B | -0.0485 | |
| 308 | E | B | -1.3656 | mutated: QE308B |
| 309 | D | B | -0.3858 | |
| 310 | W | B | 0.0000 | |
| 311 | L | B | 1.7058 | |
| 312 | N | B | -0.0298 | |
| 313 | G | B | 0.0000 | |
| 314 | K | B | -1.2439 | |
| 315 | E | B | -2.1119 | |
| 316 | Y | B | 0.0000 | |
| 317 | K | B | -1.2917 | |
| 318 | C | B | 0.0000 | |
| 319 | K | B | -0.6734 | |
| 320 | V | B | 0.0000 | |
| 321 | S | B | 0.0000 | |
| 322 | N | B | 0.0000 | |
| 323 | K | B | -1.2809 | |
| 324 | G | B | -1.0376 | |
| 325 | L | B | -0.1075 | |
| 326 | P | B | 0.0000 | |
| 327 | S | B | 0.0000 | |
| 328 | S | B | -0.8234 | |
| 329 | I | B | 0.0000 | |
| 330 | E | B | -1.3017 | |
| 331 | K | B | -0.9525 | |
| 332 | T | B | -0.7292 | |
| 333 | I | B | 0.0000 | |
| 334 | S | B | -1.9172 | |
| 335 | K | B | 0.0000 | |
| 336 | A | B | -1.3561 | |
| 337 | K | B | -0.3738 | |
| 338 | G | B | -0.3169 | |
| 339 | Q | B | -1.1480 | |
| 340 | P | B | -1.8803 | |
| 341 | R | B | -2.8713 | |
| 342 | E | B | -2.7252 | |
| 343 | P | B | 0.0000 | |
| 344 | Q | B | -1.3443 | |
| 345 | V | B | -0.4334 | |
| 346 | Y | B | 0.0000 | |
| 347 | T | B | -0.1109 | |
| 348 | L | B | 0.0000 | |
| 349 | P | B | 0.0000 | |
| 350 | P | B | -0.6695 | |
| 351 | S | B | -0.6470 | |
| 352 | Q | B | 0.0000 | |
| 353 | E | B | -2.2761 | |
| 354 | E | B | -1.4972 | |
| 355 | M | B | -0.5636 | |
| 356 | T | B | -1.3850 | |
| 357 | K | B | -2.7255 | |
| 358 | N | B | -2.5304 | |
| 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 | -0.5486 | |
| 369 | F | B | 0.0000 | |
| 370 | Y | B | 0.0000 | |
| 371 | P | B | -0.5302 | |
| 372 | S | B | 0.0000 | |
| 373 | D | B | -1.2295 | |
| 374 | I | B | 0.2384 | |
| 375 | A | B | 0.2634 | |
| 376 | V | B | 0.0387 | |
| 377 | E | B | -1.4016 | |
| 378 | W | B | 0.0000 | |
| 379 | E | B | -2.6483 | |
| 380 | S | B | -2.5443 | |
| 381 | D | B | -3.0877 | mutated: ND381B |
| 382 | G | B | -2.5270 | |
| 383 | E | B | 0.0000 | mutated: QE383B |
| 384 | P | B | -2.4355 | |
| 385 | E | B | -3.0099 | |
| 386 | D | B | 0.0000 | mutated: ND386B |
| 387 | D | B | -1.0376 | mutated: ND387B |
| 388 | Y | B | -0.3882 | |
| 389 | K | B | -0.7230 | |
| 390 | T | B | -0.3310 | |
| 391 | T | B | 0.0000 | |
| 392 | P | B | 0.0764 | |
| 393 | P | B | 0.0766 | |
| 394 | V | B | 0.0000 | |
| 395 | L | B | 1.4149 | |
| 396 | D | B | 0.0000 | |
| 397 | S | B | -0.3735 | |
| 398 | D | B | 0.0000 | |
| 399 | G | B | 0.0000 | |
| 400 | S | B | -0.0813 | |
| 401 | F | B | 0.7364 | |
| 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 | -2.1226 | |
| 411 | K | B | -2.5935 | |
| 412 | S | B | -1.9732 | |
| 413 | R | B | -2.8280 | |
| 414 | W | B | -2.3391 | |
| 415 | Q | B | -2.6610 | |
| 416 | E | B | -3.4709 | |
| 417 | G | B | -2.6925 | |
| 418 | N | B | -1.9868 | |
| 419 | V | B | -0.7131 | |
| 420 | F | B | 0.0000 | |
| 421 | S | B | -1.4250 | |
| 422 | C | B | 0.0000 | |
| 423 | S | B | 0.0000 | |
| 424 | V | B | 0.0000 | |
| 425 | M | B | 0.5810 | |
| 426 | H | B | 0.0000 | |
| 427 | E | B | -0.2735 | |
| 428 | A | B | 0.2515 | |
| 429 | L | B | 0.7319 | |
| 430 | H | B | -0.4565 | |
| 431 | N | B | -0.9443 | |
| 432 | H | B | 0.0000 | |
| 433 | Y | B | 0.2566 | |
| 434 | T | B | 0.0000 | |
| 435 | Q | B | -1.2645 | |
| 436 | K | B | 0.0000 | |
| 437 | S | B | -0.4136 | |
| 438 | L | B | 0.0000 | |
| 439 | S | B | -0.2999 | |
| 440 | L | B | 0.0000 | |
| 441 | S | B | -0.9036 | |
| 1 | E | D | -2.2483 | |
| 2 | V | D | 0.0000 | |
| 3 | Q | D | -1.6495 | |
| 4 | L | D | 0.0000 | |
| 5 | V | D | -0.6933 | |
| 6 | E | D | -1.7672 | |
| 7 | S | D | -0.9689 | |
| 8 | G | D | -0.8588 | |
| 9 | G | D | -0.2078 | |
| 10 | G | D | 0.5588 | |
| 11 | L | D | 1.5275 | |
| 12 | V | D | 1.2038 | |
| 13 | Q | D | -0.3741 | |
| 14 | P | D | -0.5150 | |
| 15 | G | D | -0.6191 | |
| 16 | G | D | -0.7236 | |
| 17 | S | D | -0.5199 | |
| 18 | L | D | 0.0000 | |
| 19 | R | D | -0.1124 | |
| 20 | L | D | 0.0000 | |
| 21 | S | D | -0.4167 | |
| 22 | C | D | 0.0000 | |
| 23 | A | D | -0.6826 | |
| 24 | A | D | 0.0000 | |
| 25 | S | D | -0.8843 | |
| 26 | G | D | -0.7286 | |
| 27 | F | D | -0.2980 | |
| 28 | A | D | 0.7112 | |
| 29 | F | D | 0.8599 | |
| 30 | S | D | 0.4402 | |
| 31 | T | D | 0.8911 | |
| 32 | Y | D | 0.0000 | |
| 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 | -0.5026 | |
| 39 | Q | D | 0.0000 | |
| 40 | A | D | -0.7331 | |
| 41 | P | D | -1.1001 | |
| 42 | G | D | -1.2012 | |
| 43 | K | D | 0.0000 | |
| 44 | G | D | -0.6792 | |
| 45 | L | D | -0.7091 | |
| 46 | E | D | -1.0577 | |
| 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 | 0.2841 | |
| 53 | S | D | -0.1139 | |
| 54 | G | D | -0.2597 | |
| 55 | G | D | -0.0055 | |
| 56 | S | D | 0.8927 | |
| 57 | Y | D | 1.3901 | |
| 58 | T | D | 0.0000 | |
| 59 | Y | D | 2.1997 | |
| 60 | Y | D | 1.8673 | |
| 61 | L | D | 1.7284 | |
| 62 | D | D | 0.2369 | |
| 63 | S | D | -0.6821 | |
| 64 | V | D | -1.7139 | |
| 65 | K | D | -2.7964 | |
| 66 | G | D | -2.3270 | |
| 67 | R | D | -2.6433 | |
| 68 | F | D | -1.1183 | |
| 69 | T | D | -0.4342 | |
| 70 | I | D | 0.0847 | |
| 71 | S | D | -0.4757 | |
| 72 | R | D | -1.1249 | |
| 73 | D | D | -1.9682 | |
| 74 | S | D | -1.4446 | |
| 75 | S | D | -1.2826 | |
| 76 | K | D | -2.0705 | |
| 77 | N | D | 0.0000 | |
| 78 | T | D | -1.0737 | |
| 79 | L | D | 0.0000 | |
| 80 | Y | D | 0.1115 | |
| 81 | L | D | 0.0000 | |
| 82 | Q | D | -0.6242 | |
| 83 | M | D | 0.0000 | |
| 84 | N | D | -2.0423 | |
| 85 | S | D | -2.2305 | |
| 86 | L | D | 0.0000 | |
| 87 | R | D | -2.6275 | |
| 88 | A | D | -1.8698 | |
| 89 | E | D | -2.1215 | |
| 90 | D | D | -2.2592 | |
| 91 | T | D | -1.4148 | |
| 92 | A | D | -0.7183 | |
| 93 | V | D | -0.2450 | |
| 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 | 0.8620 | |
| 101 | V | D | 2.0308 | |
| 102 | V | D | 0.7501 | |
| 103 | P | D | 0.0000 | |
| 104 | F | D | 0.0000 | |
| 105 | A | D | 0.0000 | |
| 106 | Y | D | 0.0000 | |
| 107 | W | D | -0.4173 | |
| 108 | G | D | -0.9432 | |
| 109 | Q | D | 0.0000 | |
| 110 | G | D | -1.1580 | |
| 111 | T | D | 0.0000 | |
| 112 | L | D | 0.5171 | |
| 113 | V | D | 0.0000 | |
| 114 | T | D | 0.0000 | |
| 115 | V | D | -0.6415 | |
| 116 | S | D | -0.6225 | |
| 117 | S | D | -0.4103 | |
| 118 | A | D | -0.3590 | |
| 119 | S | D | -0.4080 | |
| 120 | T | D | -1.0827 | |
| 121 | K | D | -1.3727 | |
| 122 | G | D | -1.2387 | |
| 123 | P | D | -0.7533 | |
| 124 | S | D | -0.3050 | |
| 125 | V | D | -0.4449 | |
| 126 | F | D | 0.0000 | |
| 127 | P | D | 0.0000 | |
| 128 | L | D | 0.0000 | |
| 129 | A | D | 0.0000 | |
| 130 | P | D | 0.0000 | |
| 131 | C | D | 0.0000 | |
| 132 | S | D | -0.3343 | |
| 133 | R | D | 0.0000 | |
| 134 | S | D | -1.0277 | |
| 135 | T | D | -0.7164 | |
| 136 | S | D | -0.7418 | |
| 137 | E | D | -1.3427 | |
| 138 | S | D | -1.0218 | |
| 139 | T | D | 0.0000 | |
| 140 | A | D | 0.0087 | |
| 141 | A | D | 0.0000 | |
| 142 | L | D | 0.0000 | |
| 143 | G | D | 0.0000 | |
| 144 | C | D | 0.0000 | |
| 145 | L | D | 0.0000 | |
| 146 | V | D | 0.0000 | |
| 147 | K | D | 0.1194 | |
| 148 | D | D | 0.1626 | |
| 149 | Y | D | 0.0000 | |
| 150 | F | D | 0.6988 | |
| 151 | P | D | 0.0000 | |
| 152 | E | D | -0.8480 | |
| 153 | P | D | -0.6937 | |
| 154 | V | D | 0.0000 | |
| 155 | T | D | -0.8469 | |
| 156 | V | D | 0.0000 | |
| 157 | S | D | -0.7681 | |
| 158 | W | D | 0.0000 | |
| 159 | N | D | -1.2952 | |
| 160 | S | D | 0.0000 | |
| 161 | G | D | -0.9179 | |
| 162 | A | D | -0.4140 | |
| 163 | L | D | 0.0000 | |
| 164 | T | D | -0.0971 | |
| 165 | S | D | -0.1207 | |
| 166 | G | D | 0.0000 | |
| 167 | V | D | 0.4140 | |
| 168 | H | D | 0.0000 | |
| 169 | T | D | -0.0736 | |
| 170 | F | D | 0.0000 | |
| 171 | P | D | -0.3172 | |
| 172 | A | D | -0.0388 | |
| 173 | V | D | 0.1170 | |
| 174 | L | D | 0.6394 | |
| 175 | E | D | 0.2805 | mutated: QE175D |
| 176 | S | D | -0.1155 | |
| 177 | S | D | 0.0009 | |
| 178 | G | D | 0.3464 | |
| 179 | L | D | 1.4272 | |
| 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 | -0.2270 | |
| 190 | S | D | -0.2723 | |
| 191 | S | D | 0.2123 | |
| 192 | S | D | 0.3285 | |
| 193 | L | D | 1.0005 | |
| 194 | G | D | -0.0002 | |
| 195 | T | D | -0.9066 | |
| 196 | K | D | -2.2340 | |
| 197 | T | D | 0.0000 | |
| 198 | Y | D | 0.0000 | |
| 199 | T | D | -2.0883 | |
| 200 | C | D | 0.0000 | |
| 201 | N | D | -2.0388 | |
| 202 | V | D | 0.0000 | |
| 203 | D | D | -2.2328 | |
| 204 | H | D | 0.0000 | |
| 205 | K | D | -2.2514 | |
| 206 | P | D | -1.4839 | |
| 207 | S | D | -1.4594 | |
| 208 | N | D | -2.5123 | |
| 209 | T | D | -2.3021 | |
| 210 | K | D | -2.8396 | |
| 211 | V | D | -1.7553 | |
| 212 | D | D | -2.6285 | |
| 213 | K | D | 0.0000 | |
| 214 | R | D | -2.8248 | |
| 215 | V | D | 0.0000 | |
| 216 | E | D | -2.6527 | |
| 217 | S | D | -1.7117 | |
| 218 | K | D | -0.9742 | |
| 219 | Y | D | -0.2713 | |
| 220 | G | D | -0.4459 | |
| 221 | P | D | -0.8330 | |
| 222 | P | D | -0.6800 | |
| 223 | C | D | 0.0000 | |
| 224 | P | D | 0.0000 | |
| 225 | P | D | 0.0000 | |
| 226 | C | D | 0.0000 | |
| 227 | P | D | -0.7145 | |
| 228 | A | D | 0.0000 | |
| 229 | P | D | -0.9002 | |
| 230 | E | D | -0.3543 | |
| 231 | F | D | 0.3022 | |
| 232 | L | D | 1.0197 | |
| 233 | G | D | 0.2942 | |
| 234 | G | D | -0.0611 | |
| 235 | P | D | 0.0000 | |
| 236 | S | D | -0.2180 | |
| 237 | V | D | 0.0000 | |
| 238 | F | D | 1.5189 | |
| 239 | L | D | 0.0000 | |
| 240 | F | D | 0.8949 | |
| 241 | P | D | 0.0000 | |
| 242 | P | D | -0.7906 | |
| 243 | K | D | -1.2806 | |
| 244 | P | D | -1.0577 | |
| 245 | K | D | 0.0000 | |
| 246 | D | D | -1.9968 | |
| 247 | T | D | 0.0000 | |
| 248 | L | D | 0.0000 | |
| 249 | M | D | 1.4196 | |
| 250 | I | D | 1.7720 | |
| 251 | S | D | 0.5847 | |
| 252 | R | D | -0.4120 | |
| 253 | T | D | -0.3135 | |
| 254 | P | D | 0.0000 | |
| 255 | E | D | -0.7592 | |
| 256 | V | D | 0.0000 | |
| 257 | T | D | 0.1595 | |
| 258 | C | D | 0.0000 | |
| 259 | V | D | 0.7749 | |
| 260 | V | D | 0.0000 | |
| 261 | V | D | 0.0214 | |
| 262 | D | D | -0.4760 | |
| 263 | V | D | 0.0000 | |
| 264 | S | D | -0.8405 | |
| 265 | Q | D | -2.1579 | |
| 266 | E | D | -3.2670 | |
| 267 | D | D | -3.2329 | |
| 268 | P | D | -2.8958 | |
| 269 | E | D | -3.2304 | |
| 270 | V | D | -1.7625 | |
| 271 | Q | D | -1.9262 | |
| 272 | F | D | 0.0000 | |
| 273 | N | D | -1.2982 | |
| 274 | W | D | -0.6391 | |
| 275 | Y | D | -0.6349 | |
| 276 | V | D | -0.4878 | |
| 277 | D | D | -1.4288 | |
| 278 | G | D | -0.3495 | |
| 279 | V | D | 0.7338 | |
| 280 | E | D | -1.0554 | |
| 281 | V | D | -0.4690 | |
| 282 | H | D | -1.5101 | |
| 283 | N | D | -1.6423 | |
| 284 | A | D | -1.3475 | |
| 285 | K | D | -2.2931 | |
| 286 | T | D | -2.0412 | |
| 287 | K | D | -2.7842 | |
| 288 | P | D | -2.2675 | |
| 289 | R | D | -3.2386 | |
| 290 | E | D | -3.1436 | |
| 291 | E | D | -2.4256 | |
| 292 | Q | D | -1.5822 | |
| 293 | F | D | -1.1248 | |
| 294 | N | D | -1.3069 | |
| 295 | S | D | -0.9140 | |
| 296 | T | D | 0.0000 | |
| 297 | Y | D | -1.2181 | |
| 298 | R | D | -1.5012 | |
| 299 | V | D | -1.1602 | |
| 300 | V | D | -0.8538 | |
| 301 | S | D | 0.0000 | |
| 302 | V | D | -0.9072 | |
| 303 | L | D | 0.0000 | |
| 304 | T | D | -0.3382 | |
| 305 | V | D | 0.0000 | |
| 306 | L | D | 0.7176 | |
| 307 | H | D | 0.0000 | |
| 308 | E | D | -0.9626 | mutated: QE308D |
| 309 | D | D | -1.0210 | |
| 310 | W | D | 0.0000 | |
| 311 | L | D | 0.0105 | |
| 312 | N | D | -1.5943 | |
| 313 | G | D | -1.8371 | |
| 314 | K | D | -2.2020 | |
| 315 | E | D | -2.3597 | |
| 316 | Y | D | 0.0000 | |
| 317 | K | D | -1.1899 | |
| 318 | C | D | 0.0000 | |
| 319 | K | D | -1.1528 | |
| 320 | V | D | 0.0000 | |
| 321 | S | D | -1.2527 | |
| 322 | N | D | 0.0000 | |
| 323 | K | D | -2.4593 | |
| 324 | G | D | -1.7772 | |
| 325 | L | D | -0.6520 | |
| 326 | P | D | -0.5920 | |
| 327 | S | D | -0.5067 | |
| 328 | S | D | -0.5919 | |
| 329 | I | D | -0.3349 | |
| 330 | E | D | -1.3704 | |
| 331 | K | D | -0.6581 | |
| 332 | T | D | -0.5506 | |
| 333 | I | D | -0.2390 | |
| 334 | S | D | -1.0124 | |
| 335 | K | D | -1.5665 | |
| 336 | A | D | -1.5444 | |
| 337 | K | D | -1.7364 | |
| 338 | G | D | -1.0125 | |
| 339 | Q | D | 0.0000 | |
| 340 | P | D | -0.5384 | |
| 341 | R | D | 0.0000 | |
| 342 | E | D | -2.0166 | |
| 343 | P | D | -1.2057 | |
| 344 | Q | D | -0.7228 | |
| 345 | V | D | -0.4932 | |
| 346 | Y | D | 0.0000 | |
| 347 | T | D | 0.1309 | |
| 348 | L | D | 0.0000 | |
| 349 | P | D | 0.1224 | |
| 350 | P | D | -0.4575 | |
| 351 | S | D | -0.6955 | |
| 352 | Q | D | 0.0000 | |
| 353 | E | D | -2.0458 | |
| 354 | E | D | -1.2123 | |
| 355 | M | D | -0.1801 | |
| 356 | T | D | -0.2927 | |
| 357 | K | D | -0.8128 | |
| 358 | N | D | -1.3420 | |
| 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 | -0.7145 | |
| 369 | F | D | 0.0000 | |
| 370 | Y | D | 0.0000 | |
| 371 | P | D | -0.2919 | |
| 372 | S | D | -0.2440 | |
| 373 | D | D | 0.0000 | |
| 374 | I | D | -0.4663 | |
| 375 | A | D | -0.5785 | |
| 376 | V | D | 0.0000 | |
| 377 | E | D | -1.4348 | |
| 378 | W | D | 0.0000 | |
| 379 | E | D | -2.8040 | |
| 380 | S | D | -2.5848 | |
| 381 | D | D | -2.8393 | mutated: ND381D |
| 382 | G | D | -2.9541 | |
| 383 | E | D | -3.6033 | mutated: QE383D |
| 384 | P | D | 0.0000 | |
| 385 | E | D | -2.6884 | |
| 386 | D | D | -2.7148 | mutated: ND386D |
| 387 | D | D | -1.8505 | mutated: ND387D |
| 388 | Y | D | -0.3724 | |
| 389 | K | D | -0.0263 | |
| 390 | T | D | -0.0333 | |
| 391 | T | D | 0.0078 | |
| 392 | P | D | -0.2490 | |
| 393 | P | D | 0.0283 | |
| 394 | V | D | 0.0000 | |
| 395 | L | D | 1.1060 | |
| 396 | D | D | -0.0419 | |
| 397 | S | D | -1.1465 | |
| 398 | D | D | -2.1674 | |
| 399 | G | D | -1.0577 | |
| 400 | S | D | 0.0000 | |
| 401 | F | D | 0.7253 | |
| 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 | 0.0000 | |
| 409 | V | D | 0.0000 | |
| 410 | D | D | -2.4651 | |
| 411 | K | D | -2.4225 | |
| 412 | S | D | -2.3349 | |
| 413 | R | D | -3.5321 | |
| 414 | W | D | -2.7731 | |
| 415 | Q | D | -3.5116 | |
| 416 | E | D | -4.1483 | |
| 417 | G | D | -3.0086 | |
| 418 | N | D | -2.6769 | |
| 419 | V | D | 0.0000 | |
| 420 | F | D | -0.7409 | |
| 421 | S | D | -1.2072 | |
| 422 | C | D | 0.0000 | |
| 423 | S | D | -0.9628 | |
| 424 | V | D | 0.0000 | |
| 425 | M | D | -0.7182 | |
| 426 | H | D | 0.0000 | |
| 427 | E | D | 0.0000 | |
| 428 | A | D | 0.0000 | |
| 429 | L | D | 1.1337 | |
| 430 | H | D | 0.2240 | |
| 431 | N | D | 0.5231 | |
| 432 | H | D | -0.3709 | |
| 433 | Y | D | 0.0862 | |
| 434 | T | D | -0.8546 | |
| 435 | Q | D | -1.3312 | |
| 436 | K | D | 0.0000 | |
| 437 | S | D | -0.3009 | |
| 438 | L | D | 0.0000 | |
| 439 | S | D | 0.0000 | |
| 440 | L | D | 1.0732 | |
| 441 | S | D | 0.1196 |
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, -0.5802 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_8 | -0.5802 | View | CSV | PDB |
| model_0 | -0.5863 | View | CSV | PDB |
| model_1 | -0.5907 | View | CSV | PDB |
| model_5 | -0.5934 | View | CSV | PDB |
| model_9 | -0.5982 | View | CSV | PDB |
| model_3 | -0.6009 | View | CSV | PDB |
| model_10 | -0.6029 | View | CSV | PDB |
| model_4 | -0.6107 | View | CSV | PDB |
| model_2 | -0.6124 | View | CSV | PDB |
| model_7 | -0.6219 | View | CSV | PDB |
| model_6 | -0.6233 | View | CSV | PDB |
| model_11 | -0.6496 | 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