| Chain sequence(s) |
A: EIVLTQSPATLSLSPGERATLSCRASKGVSTSGYSYLHWYQQKPGQAPRLLIYLASYLESGVPARFSGSGSGTDFTLTISSLEPEDFAVYYCQHSRDLPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
C: EIVLTQSPATLSLSPGERATLSCRASKGVSTSGYSYLHWYQQKPGQAPRLLIYLASYLESGVPARFSGSGSGTDFTLTISSLEPEDFAVYYCQHSRDLPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC B: QVQLVQSGVEVKKPGASVKVSCKASGYTFTNYYMYWVRQAPGQGLEWMGGINPSNGGTNFNEKFKNRVTLTTDSSTTTAYMELKSLQFDDTAVYYCARRDYRFDMGFDYWGQGTTVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPPCPAPEFLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS D: QVQLVQSGVEVKKPGASVKVSCKASGYTFTNYYMYWVRQAPGQGLEWMGGINPSNGGTNFNEKFKNRVTLTTDSSTTTAYMELKSLQFDDTAVYYCARRDYRFDMGFDYWGQGTTVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPPCPAPEFLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS input PDB |
| Selected Chain(s) | A,B,C,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | Yes |
| Automated mutations | No |
| Mutated residues | LA4A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 2.10182 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] (00:00:00)
[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 (00:46:20)
[INFO] FoldX: Starting FoldX energy minimalization (00:46:32)
[INFO] CABS: Running CABS flex simulation (01:03:11)
[INFO] Analysis: Starting Aggrescan3D on model_10.pdb (12:39:35)
[INFO] Analysis: Starting Aggrescan3D on model_7.pdb (12:40:16)
[INFO] Analysis: Starting Aggrescan3D on model_9.pdb (12:40:59)
[INFO] Analysis: Starting Aggrescan3D on model_8.pdb (12:41:41)
[INFO] Analysis: Starting Aggrescan3D on model_11.pdb (12:42:29)
[INFO] Analysis: Starting Aggrescan3D on model_6.pdb (12:43:15)
[INFO] Analysis: Starting Aggrescan3D on model_4.pdb (12:43:58)
[INFO] Analysis: Starting Aggrescan3D on model_2.pdb (12:44:40)
[INFO] Analysis: Starting Aggrescan3D on model_5.pdb (12:45:23)
[INFO] Analysis: Starting Aggrescan3D on model_1.pdb (12:46:06)
[INFO] Analysis: Starting Aggrescan3D on model_0.pdb (12:46:52)
[INFO] Analysis: Starting Aggrescan3D on model_3.pdb (12:47:40)
[INFO] Analysis: Starting Aggrescan3D on input.pdb (12:48:26)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (12:50:23)
[INFO] Movie: Creting movie with webm format (13:21:33)
[INFO] Main: Simulation completed successfully. (13:22:21)
|
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 | E | A | -1.3370 | |
| 2 | I | A | 1.1514 | |
| 3 | V | A | 0.5506 | |
| 4 | A | A | 0.0000 | mutated: LA4A |
| 5 | T | A | -0.5917 | |
| 6 | Q | A | -0.8431 | |
| 7 | S | A | -0.7832 | |
| 8 | P | A | -0.5205 | |
| 9 | A | A | -0.2460 | |
| 10 | T | A | -0.2228 | |
| 11 | L | A | -0.4646 | |
| 12 | S | A | -0.9189 | |
| 13 | L | A | 0.0000 | |
| 14 | S | A | -1.5629 | |
| 15 | P | A | -1.6067 | |
| 16 | G | A | -1.9308 | |
| 17 | E | A | -2.9808 | |
| 18 | R | A | -2.8460 | |
| 19 | A | A | -1.3424 | |
| 20 | T | A | -0.1644 | |
| 21 | L | A | -0.3498 | |
| 22 | S | A | -0.6716 | |
| 23 | C | A | 0.0000 | |
| 24 | R | A | -2.3927 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -1.6486 | |
| 27 | K | A | -1.7675 | |
| 28 | G | A | -0.7147 | |
| 29 | V | A | 1.0371 | |
| 30 | S | A | 0.0263 | |
| 31 | T | A | -0.1392 | |
| 32 | S | A | 0.0000 | |
| 33 | G | A | -0.8694 | |
| 34 | Y | A | 0.0000 | |
| 35 | S | A | -0.7605 | |
| 36 | Y | A | 0.0000 | |
| 37 | L | A | 0.0000 | |
| 38 | H | A | 0.0000 | |
| 39 | W | A | 0.0000 | |
| 40 | Y | A | 0.0000 | |
| 41 | Q | A | 0.0000 | |
| 42 | Q | A | 0.0000 | |
| 43 | K | A | -1.2841 | |
| 44 | P | A | -1.3483 | |
| 45 | G | A | -1.0477 | |
| 46 | Q | A | -1.1455 | |
| 47 | A | A | -0.7305 | |
| 48 | P | A | 0.0000 | |
| 49 | R | A | 0.0000 | |
| 50 | L | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | I | A | 1.3120 | |
| 53 | Y | A | 0.0000 | |
| 54 | L | A | 0.9969 | |
| 55 | A | A | 0.8390 | |
| 56 | S | A | 0.9555 | |
| 57 | Y | A | 1.0731 | |
| 58 | L | A | 1.6756 | |
| 59 | E | A | 0.5998 | |
| 60 | S | A | 0.8378 | |
| 61 | G | A | 0.4540 | |
| 62 | V | A | 1.7191 | |
| 63 | P | A | 0.8027 | |
| 64 | A | A | 0.8128 | |
| 65 | R | A | 0.0000 | |
| 66 | F | A | 2.1974 | |
| 67 | S | A | 0.0000 | |
| 68 | G | A | 0.0000 | |
| 69 | S | A | 0.0205 | |
| 70 | G | A | -0.4815 | |
| 71 | S | A | -0.9862 | |
| 72 | G | A | -1.1658 | |
| 73 | T | A | -1.6471 | |
| 74 | D | A | -1.8112 | |
| 75 | F | A | 0.0000 | |
| 76 | T | A | -0.6584 | |
| 77 | L | A | 0.0000 | |
| 78 | T | A | 0.2616 | |
| 79 | I | A | 0.0000 | |
| 80 | S | A | 0.0000 | |
| 81 | S | A | -1.2537 | |
| 82 | L | A | -1.0693 | |
| 83 | E | A | -1.2019 | |
| 84 | P | A | -1.2761 | |
| 85 | E | A | -1.2080 | |
| 86 | D | A | -2.2948 | |
| 87 | F | A | -1.1008 | |
| 88 | A | A | 0.0000 | |
| 89 | V | A | -0.6770 | |
| 90 | Y | A | 0.0000 | |
| 91 | Y | A | 0.0000 | |
| 92 | C | A | 0.0000 | |
| 93 | Q | A | 0.0000 | |
| 94 | H | A | 0.0000 | |
| 95 | S | A | 0.0000 | |
| 96 | R | A | -2.6015 | |
| 97 | D | A | -1.9026 | |
| 98 | L | A | -1.5365 | |
| 99 | P | A | -0.7582 | |
| 100 | L | A | 0.0000 | |
| 101 | T | A | 0.0747 | |
| 102 | F | A | 0.6255 | |
| 103 | G | A | 0.0959 | |
| 104 | G | A | -0.2999 | |
| 105 | G | A | 0.0000 | |
| 106 | T | A | 0.0000 | |
| 107 | K | A | -0.3786 | |
| 108 | V | A | 0.0000 | |
| 109 | E | A | -0.7634 | |
| 110 | I | A | 0.0000 | |
| 111 | K | A | 0.0000 | |
| 112 | R | A | -0.9915 | |
| 113 | T | A | -0.5780 | |
| 114 | V | A | 0.1030 | |
| 115 | A | A | 0.2728 | |
| 116 | A | A | 0.0679 | |
| 117 | P | A | 0.0000 | |
| 118 | S | A | 0.0000 | |
| 119 | V | A | 0.0000 | |
| 120 | F | A | 0.0000 | |
| 121 | I | A | 0.0000 | |
| 122 | F | A | 0.0000 | |
| 123 | P | A | 0.0000 | |
| 124 | P | A | 0.0000 | |
| 125 | S | A | -1.3599 | |
| 126 | D | A | -2.5535 | |
| 127 | E | A | -2.1671 | |
| 128 | Q | A | 0.0000 | |
| 129 | L | A | -1.9668 | |
| 130 | K | A | -2.5185 | |
| 131 | S | A | -1.6005 | |
| 132 | G | A | -1.2444 | |
| 133 | T | A | -0.7699 | |
| 134 | A | A | 0.0000 | |
| 135 | S | A | 0.0000 | |
| 136 | V | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | C | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | N | A | 0.0000 | |
| 142 | N | A | -0.4433 | |
| 143 | F | A | 0.0000 | |
| 144 | Y | A | -0.2092 | |
| 145 | P | A | -0.7425 | |
| 146 | R | A | -1.6703 | |
| 147 | E | A | -2.5507 | |
| 148 | A | A | -1.9649 | |
| 149 | K | A | -2.7205 | |
| 150 | V | A | -1.9032 | |
| 151 | Q | A | -1.8260 | |
| 152 | W | A | 0.0000 | |
| 153 | K | A | -2.3905 | |
| 154 | V | A | 0.0000 | |
| 155 | D | A | -2.8171 | |
| 156 | N | A | -2.6244 | |
| 157 | A | A | -1.7102 | |
| 158 | L | A | 0.3074 | |
| 159 | Q | A | 0.0000 | |
| 160 | S | A | -1.3992 | |
| 161 | G | A | -1.1900 | |
| 162 | N | A | -1.0860 | |
| 163 | S | A | -1.6013 | |
| 164 | Q | A | -1.1511 | |
| 165 | E | A | -1.5246 | |
| 166 | S | A | 0.0000 | |
| 167 | V | A | 0.9633 | |
| 168 | T | A | 0.0000 | |
| 169 | E | A | -1.4898 | |
| 170 | Q | A | 0.0000 | |
| 171 | D | A | -2.2244 | |
| 172 | S | A | -1.2737 | |
| 173 | K | A | -0.9654 | |
| 174 | D | A | -1.6037 | |
| 175 | S | A | -1.5704 | |
| 176 | T | A | 0.0000 | |
| 177 | Y | A | -0.3223 | |
| 178 | S | A | 0.0000 | |
| 179 | L | A | -0.0145 | |
| 180 | S | A | 0.0000 | |
| 181 | S | A | 0.0000 | |
| 182 | T | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | T | A | -0.0596 | |
| 185 | L | A | 0.0000 | |
| 186 | S | A | -0.5266 | |
| 187 | K | A | -1.6722 | |
| 188 | A | A | -1.4737 | |
| 189 | D | A | -2.0598 | |
| 190 | Y | A | 0.0000 | |
| 191 | E | A | -3.6766 | |
| 192 | K | A | -3.7059 | |
| 193 | H | A | 0.0000 | |
| 194 | K | A | -3.3269 | |
| 195 | V | A | -2.1416 | |
| 196 | Y | A | 0.0000 | |
| 197 | A | A | -1.1455 | |
| 198 | C | A | 0.0000 | |
| 199 | E | A | -1.3614 | |
| 200 | V | A | 0.0000 | |
| 201 | T | A | -1.4571 | |
| 202 | H | A | 0.0000 | |
| 203 | Q | A | -2.2978 | |
| 204 | G | A | -1.3848 | |
| 205 | L | A | -0.5555 | |
| 206 | S | A | -0.7170 | |
| 207 | S | A | -0.3313 | |
| 208 | P | A | -0.5704 | |
| 209 | V | A | -0.2985 | |
| 210 | T | A | -0.5744 | |
| 211 | K | A | -0.8837 | |
| 212 | S | A | -0.8249 | |
| 213 | F | A | 0.0000 | |
| 214 | N | A | -1.5894 | |
| 215 | R | A | -1.8401 | |
| 216 | G | A | -2.1832 | |
| 217 | E | A | -1.8077 | |
| 218 | C | A | 0.0000 | |
| 1 | Q | B | -0.4710 | |
| 2 | V | B | 0.9338 | |
| 3 | Q | B | 0.0000 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | -0.2907 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.2779 | |
| 8 | G | B | 0.4747 | |
| 9 | V | B | 1.5402 | |
| 10 | E | B | 0.7394 | |
| 11 | V | B | 1.2771 | |
| 12 | K | B | 0.0000 | |
| 13 | K | B | -1.3872 | |
| 14 | P | B | -1.1084 | |
| 15 | G | B | -1.0705 | |
| 16 | A | B | -0.9692 | |
| 17 | S | B | -1.7360 | |
| 18 | V | B | 0.0000 | |
| 19 | K | B | -2.0348 | |
| 20 | V | B | 0.0000 | |
| 21 | S | B | -0.7983 | |
| 22 | C | B | 0.0000 | |
| 23 | K | B | -1.6883 | |
| 24 | A | B | -0.7562 | |
| 25 | S | B | -0.5025 | |
| 26 | G | B | -0.4247 | |
| 27 | Y | B | 0.0000 | |
| 28 | T | B | -0.7282 | |
| 29 | F | B | 0.0000 | |
| 30 | T | B | -0.9034 | |
| 31 | N | B | -1.3917 | |
| 32 | Y | B | 0.0000 | |
| 33 | Y | B | -0.3594 | |
| 34 | M | B | 0.0000 | |
| 35 | Y | 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 | -0.8044 | |
| 41 | P | B | -0.9340 | |
| 42 | G | B | -1.3271 | |
| 43 | Q | B | -1.7378 | |
| 44 | G | B | -1.0257 | |
| 45 | L | B | -0.3111 | |
| 46 | E | B | -0.3273 | |
| 47 | W | B | 0.1123 | |
| 48 | M | B | 0.0000 | |
| 49 | G | B | 0.0000 | |
| 50 | G | B | 0.0000 | |
| 51 | I | B | 0.0000 | |
| 52 | N | B | 0.0000 | |
| 53 | P | B | 0.0000 | |
| 54 | S | B | -1.3017 | |
| 55 | N | B | -2.0012 | |
| 56 | G | B | -1.5167 | |
| 57 | G | B | -1.0375 | |
| 58 | T | B | -0.5590 | |
| 59 | N | B | -0.7454 | |
| 60 | F | B | 0.2452 | |
| 61 | N | B | -1.2172 | |
| 62 | E | B | -3.0436 | |
| 63 | K | B | -2.9290 | |
| 64 | F | B | -2.2367 | |
| 65 | K | B | -3.1292 | |
| 66 | N | B | 0.0000 | |
| 67 | R | B | -3.3104 | |
| 68 | V | B | 0.0000 | |
| 69 | T | B | -1.2441 | |
| 70 | L | B | 0.0000 | |
| 71 | T | B | -0.6239 | |
| 72 | T | B | -1.2262 | |
| 73 | D | B | -1.9909 | |
| 74 | S | B | -1.3364 | |
| 75 | S | B | -0.8996 | |
| 76 | T | B | -0.9709 | |
| 77 | T | B | -1.0962 | |
| 78 | T | B | -1.3481 | |
| 79 | A | B | 0.0000 | |
| 80 | Y | B | -0.7861 | |
| 81 | M | B | 0.0000 | |
| 82 | E | B | -2.2676 | |
| 83 | L | B | 0.0000 | |
| 84 | K | B | -2.9253 | |
| 85 | S | B | 0.0000 | |
| 86 | L | B | -0.6199 | |
| 87 | Q | B | -1.3567 | |
| 88 | F | B | 0.0000 | |
| 89 | D | B | -2.0927 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.4845 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | 0.1115 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.0000 | |
| 96 | C | B | 0.0000 | |
| 97 | A | B | 0.0000 | |
| 98 | R | B | 0.0000 | |
| 99 | R | B | -0.4449 | |
| 100 | D | B | 0.0046 | |
| 101 | Y | B | 0.9616 | |
| 102 | R | B | 0.0000 | |
| 103 | F | B | 1.3896 | |
| 104 | D | B | 0.2850 | |
| 105 | M | B | 0.0000 | |
| 106 | G | B | 0.0000 | |
| 107 | F | B | 0.0000 | |
| 108 | D | B | 0.0000 | |
| 109 | Y | B | 0.4569 | |
| 110 | W | B | 0.0000 | |
| 111 | G | B | -0.3259 | |
| 112 | Q | B | -0.6047 | |
| 113 | G | B | -0.3274 | |
| 114 | T | B | 0.0000 | |
| 115 | T | B | 0.7181 | |
| 116 | V | B | 0.0000 | |
| 117 | T | B | 0.2400 | |
| 118 | V | B | -0.4816 | |
| 119 | S | B | -0.6120 | |
| 120 | S | B | -0.5747 | |
| 121 | A | B | -0.2061 | |
| 122 | S | B | -0.5374 | |
| 123 | T | B | -0.6990 | |
| 124 | K | B | -1.8398 | |
| 125 | G | B | -1.6763 | |
| 126 | P | B | -0.8639 | |
| 127 | S | B | -0.6299 | |
| 128 | V | B | 0.0000 | |
| 129 | F | B | 0.0000 | |
| 130 | P | B | 0.0000 | |
| 131 | L | B | 0.0000 | |
| 132 | A | B | 0.0000 | |
| 133 | P | B | 0.0000 | |
| 134 | C | B | 0.0000 | |
| 135 | S | B | 0.0000 | |
| 136 | R | B | -2.1518 | |
| 137 | S | B | -1.3166 | |
| 138 | T | B | -0.8075 | |
| 139 | S | B | -0.8263 | |
| 140 | E | B | -1.2788 | |
| 141 | S | B | -1.3392 | |
| 142 | T | B | 0.0000 | |
| 143 | A | B | 0.0000 | |
| 144 | A | B | 0.0000 | |
| 145 | L | B | 0.0000 | |
| 146 | G | B | 0.0000 | |
| 147 | C | B | 0.0000 | |
| 148 | L | B | 0.0000 | |
| 149 | V | B | 0.0000 | |
| 150 | K | B | 0.0000 | |
| 151 | D | B | -0.5409 | |
| 152 | Y | B | 0.0746 | |
| 153 | F | B | 0.0109 | |
| 154 | P | B | 0.2097 | |
| 155 | E | B | 0.0000 | |
| 156 | P | B | -0.5396 | |
| 157 | V | B | 0.0000 | |
| 158 | T | B | -0.7954 | |
| 159 | V | B | -0.3950 | |
| 160 | S | B | -0.4079 | |
| 161 | W | B | -0.4363 | |
| 162 | N | B | -1.3040 | |
| 163 | S | B | -0.6132 | |
| 164 | G | B | -0.4532 | |
| 165 | A | B | -0.2532 | |
| 166 | L | B | 0.1502 | |
| 167 | T | B | -0.0326 | |
| 168 | S | B | -0.1622 | |
| 169 | G | B | -0.3982 | |
| 170 | V | B | -0.3596 | |
| 171 | H | B | 0.0000 | |
| 172 | T | B | -0.0790 | |
| 173 | F | B | 0.0685 | |
| 174 | P | B | 0.1250 | |
| 175 | A | B | 0.2798 | |
| 176 | V | B | 0.0000 | |
| 177 | L | B | 1.2833 | |
| 178 | Q | B | 0.4377 | |
| 179 | S | B | 0.2544 | |
| 180 | S | B | -0.1884 | |
| 181 | G | B | 0.0522 | |
| 182 | L | B | 1.2188 | |
| 183 | Y | B | 0.0000 | |
| 184 | S | B | 0.0000 | |
| 185 | L | B | 0.0000 | |
| 186 | S | B | 0.0000 | |
| 187 | S | B | 0.0000 | |
| 188 | V | B | 0.0000 | |
| 189 | V | B | 0.0000 | |
| 190 | T | B | -0.1734 | |
| 191 | V | B | 0.0000 | |
| 192 | P | B | -0.6070 | |
| 193 | S | B | -0.5507 | |
| 194 | S | B | -0.7026 | |
| 195 | S | B | -0.2173 | |
| 196 | L | B | -0.2202 | |
| 197 | G | B | -0.7580 | |
| 198 | T | B | -0.7861 | |
| 199 | K | B | -0.8528 | |
| 200 | T | B | -0.8039 | |
| 201 | Y | B | 0.0000 | |
| 202 | T | B | -1.7988 | |
| 203 | C | B | 0.0000 | |
| 204 | N | B | -1.9149 | |
| 205 | V | B | 0.0000 | |
| 206 | D | B | -2.1822 | |
| 207 | H | B | 0.0000 | |
| 208 | K | B | -2.6704 | |
| 209 | P | B | -1.8345 | |
| 210 | S | B | -2.1100 | |
| 211 | N | B | -2.5509 | |
| 212 | T | B | -2.3442 | |
| 213 | K | B | -2.9446 | |
| 214 | V | B | -2.1662 | |
| 215 | D | B | -3.1342 | |
| 216 | K | B | -2.8504 | |
| 217 | R | B | -2.8475 | |
| 218 | V | B | 0.0000 | |
| 219 | E | B | 0.0000 | |
| 220 | S | B | -1.4240 | |
| 221 | K | B | -1.8589 | |
| 222 | Y | B | 0.0000 | |
| 223 | G | B | -0.9613 | |
| 224 | P | B | 0.0000 | |
| 225 | P | B | -0.5367 | |
| 226 | C | B | -0.1746 | |
| 227 | P | B | 0.1162 | |
| 228 | P | B | -0.2750 | |
| 229 | C | B | -0.2371 | |
| 230 | P | B | -0.0697 | |
| 231 | A | B | 0.0000 | |
| 232 | P | B | 0.1292 | |
| 233 | E | B | 0.2570 | |
| 234 | F | B | 1.0496 | |
| 235 | L | B | 0.6343 | |
| 236 | G | B | 0.0713 | |
| 237 | G | B | 0.1201 | |
| 238 | P | B | 0.0000 | |
| 239 | S | B | 0.2285 | |
| 240 | V | B | 0.6200 | |
| 241 | F | B | 1.6852 | |
| 242 | L | B | 1.3767 | |
| 243 | F | B | 1.3842 | |
| 244 | P | B | 0.0000 | |
| 245 | P | B | -0.6537 | |
| 246 | K | B | -2.2022 | |
| 247 | P | B | -2.5040 | |
| 248 | K | B | -2.7937 | |
| 249 | D | B | -2.7119 | |
| 250 | T | B | -0.8516 | |
| 251 | L | B | -0.0159 | |
| 252 | M | B | 0.1685 | |
| 253 | I | B | 0.9419 | |
| 254 | S | B | -0.6286 | |
| 255 | R | B | -2.3607 | |
| 256 | T | B | 0.0000 | |
| 257 | P | B | 0.0000 | |
| 258 | E | B | -0.9554 | |
| 259 | V | B | 0.0000 | |
| 260 | T | B | 0.2458 | |
| 261 | C | B | 0.0000 | |
| 262 | V | B | 0.0000 | |
| 263 | V | B | 0.0000 | |
| 264 | V | B | 0.0000 | |
| 265 | D | B | 0.0000 | |
| 266 | V | B | -0.1679 | |
| 267 | S | B | -0.7506 | |
| 268 | Q | B | -1.1576 | |
| 269 | E | B | -2.3270 | |
| 270 | D | B | 0.0000 | |
| 271 | P | B | -2.1796 | |
| 272 | E | B | -2.8706 | |
| 273 | V | B | -1.6405 | |
| 274 | Q | B | -1.5942 | |
| 275 | F | B | -1.1539 | |
| 276 | N | B | -1.2651 | |
| 277 | W | B | -0.8526 | |
| 278 | Y | B | -0.1725 | |
| 279 | V | B | -0.9156 | |
| 280 | D | B | -1.6135 | |
| 281 | G | B | -1.3412 | |
| 282 | V | B | 0.0000 | |
| 283 | E | B | -2.3411 | |
| 284 | V | B | 0.0000 | |
| 285 | H | B | -2.1433 | |
| 286 | N | B | -1.9802 | |
| 287 | A | B | -1.9271 | |
| 288 | K | B | -2.2570 | |
| 289 | T | B | -1.7079 | |
| 290 | K | B | -1.8327 | |
| 291 | P | B | -1.7265 | |
| 292 | R | B | -2.2228 | |
| 293 | E | B | -2.2502 | |
| 294 | E | B | -2.7600 | |
| 295 | Q | B | -1.8677 | |
| 296 | F | B | 0.0000 | |
| 297 | N | B | -2.0051 | |
| 298 | S | B | -1.3247 | |
| 299 | T | B | -1.1421 | |
| 300 | Y | B | -1.5273 | |
| 301 | R | B | 0.0000 | |
| 302 | V | B | 0.0000 | |
| 303 | V | B | -0.5307 | |
| 304 | S | B | 0.0000 | |
| 305 | V | B | 0.0000 | |
| 306 | L | B | 0.0000 | |
| 307 | T | B | 0.0000 | |
| 308 | V | B | 0.0000 | |
| 309 | L | B | -0.1849 | |
| 310 | H | B | -1.4436 | |
| 311 | Q | B | -1.5158 | |
| 312 | D | B | -1.5789 | |
| 313 | W | B | 0.0000 | |
| 314 | L | B | 0.4133 | |
| 315 | N | B | -1.4102 | |
| 316 | G | B | -1.4742 | |
| 317 | K | B | 0.0000 | |
| 318 | E | B | -2.3390 | |
| 319 | Y | B | 0.0000 | |
| 320 | K | B | -1.4165 | |
| 321 | C | B | 0.0000 | |
| 322 | K | B | -1.7177 | |
| 323 | V | B | 0.0000 | |
| 324 | S | B | -1.5845 | |
| 325 | N | B | 0.0000 | |
| 326 | K | B | -2.7292 | |
| 327 | G | B | -2.0827 | |
| 328 | L | B | -1.4463 | |
| 329 | P | B | -0.7772 | |
| 330 | S | B | -0.6248 | |
| 331 | S | B | -0.9541 | |
| 332 | I | B | 0.0000 | |
| 333 | E | B | -2.0762 | |
| 334 | K | B | 0.0000 | |
| 335 | T | B | -1.0635 | |
| 336 | I | B | -0.6078 | |
| 337 | S | B | -1.1602 | |
| 338 | K | B | -1.0640 | |
| 339 | A | B | -1.2778 | |
| 340 | K | B | -1.3715 | |
| 341 | G | B | -1.3915 | |
| 342 | Q | B | -1.0475 | |
| 343 | P | B | -0.8565 | |
| 344 | R | B | 0.0000 | |
| 345 | E | B | -0.5888 | |
| 346 | P | B | -0.4973 | |
| 347 | Q | B | -0.6291 | |
| 348 | V | B | 0.0000 | |
| 349 | Y | B | 0.0000 | |
| 350 | T | B | 0.0000 | |
| 351 | L | B | 0.0000 | |
| 352 | P | B | -0.2897 | |
| 353 | P | B | 0.0000 | |
| 354 | S | B | -0.7055 | |
| 355 | Q | B | 0.0000 | |
| 356 | E | B | -2.4137 | |
| 357 | E | B | -1.2966 | |
| 358 | M | B | 0.0335 | |
| 359 | T | B | -0.4444 | |
| 360 | K | B | -1.4251 | |
| 361 | N | B | -2.3218 | |
| 362 | Q | B | 0.0000 | |
| 363 | V | B | 0.0000 | |
| 364 | S | B | 0.0000 | |
| 365 | L | B | 0.0000 | |
| 366 | T | B | 0.0000 | |
| 367 | C | B | 0.0000 | |
| 368 | L | B | 0.0000 | |
| 369 | V | B | 0.0000 | |
| 370 | K | B | 0.0000 | |
| 371 | G | B | 0.0621 | |
| 372 | F | B | -0.0151 | |
| 373 | Y | B | 0.0000 | |
| 374 | P | B | 0.0944 | |
| 375 | S | B | -0.3005 | |
| 376 | D | B | -0.4565 | |
| 377 | I | B | 0.0000 | |
| 378 | A | B | -0.5262 | |
| 379 | V | B | 0.0000 | |
| 380 | E | B | -2.0337 | |
| 381 | W | B | 0.0000 | |
| 382 | E | B | -2.8051 | |
| 383 | S | B | -1.9305 | |
| 384 | N | B | -2.2184 | |
| 385 | G | B | -1.7625 | |
| 386 | Q | B | 0.0000 | |
| 387 | P | B | -1.7271 | |
| 388 | E | B | -1.6745 | |
| 389 | N | B | -1.2869 | |
| 390 | N | B | 0.0000 | |
| 391 | Y | B | 0.3948 | |
| 392 | K | B | 0.1477 | |
| 393 | T | B | -0.0538 | |
| 394 | T | B | 0.0000 | |
| 395 | P | B | 0.1347 | |
| 396 | P | B | 0.2780 | |
| 397 | V | B | 0.0000 | |
| 398 | L | B | 1.4914 | |
| 399 | D | B | 0.0000 | |
| 400 | S | B | -0.1482 | |
| 401 | D | B | -0.7415 | |
| 402 | G | B | -0.2787 | |
| 403 | S | B | 0.0000 | |
| 404 | F | B | 0.9328 | |
| 405 | F | B | 0.0000 | |
| 406 | L | B | 0.0000 | |
| 407 | Y | B | 0.0000 | |
| 408 | S | B | 0.0000 | |
| 409 | R | B | 0.0000 | |
| 410 | L | B | 0.0000 | |
| 411 | T | B | 0.0000 | |
| 412 | V | B | 0.0000 | |
| 413 | D | B | -1.9406 | |
| 414 | K | B | -2.4624 | |
| 415 | S | B | -1.7559 | |
| 416 | R | B | 0.0000 | |
| 417 | W | B | -1.6565 | |
| 418 | Q | B | -2.1719 | |
| 419 | Q | B | -2.2019 | |
| 420 | G | B | -1.8112 | |
| 421 | N | B | -1.4805 | |
| 422 | V | B | -0.7319 | |
| 423 | F | B | 0.0000 | |
| 424 | S | B | -1.5695 | |
| 425 | C | B | 0.0000 | |
| 426 | S | B | 0.0000 | |
| 427 | V | B | 0.0000 | |
| 428 | M | B | -0.7543 | |
| 429 | H | B | -0.5465 | |
| 430 | E | B | -0.9284 | |
| 431 | A | B | -0.2481 | |
| 432 | L | B | 0.5528 | |
| 433 | H | B | -1.0532 | |
| 434 | N | B | -1.2106 | |
| 435 | H | B | -0.9941 | |
| 436 | Y | B | 0.0007 | |
| 437 | T | B | -0.5339 | |
| 438 | Q | B | -1.5218 | |
| 439 | K | B | -0.9529 | |
| 440 | S | B | -0.8304 | |
| 441 | L | B | 0.0000 | |
| 442 | S | B | -0.3667 | |
| 443 | L | B | 0.0000 | |
| 444 | S | B | -0.3042 | |
| 1 | E | C | -1.2722 | |
| 2 | I | C | 0.4890 | |
| 3 | V | C | 1.1711 | |
| 4 | L | C | 0.0000 | |
| 5 | T | C | -0.2836 | |
| 6 | Q | C | -0.7497 | |
| 7 | S | C | -0.8800 | |
| 8 | P | C | -0.6135 | |
| 9 | A | C | -0.3351 | |
| 10 | T | C | -0.7745 | |
| 11 | L | C | -0.9275 | |
| 12 | S | C | -1.5186 | |
| 13 | L | C | 0.0000 | |
| 14 | S | C | -1.6982 | |
| 15 | P | C | -1.4210 | |
| 16 | G | C | -1.8743 | |
| 17 | E | C | -3.0660 | |
| 18 | R | C | -2.9132 | |
| 19 | A | C | 0.0000 | |
| 20 | T | C | -1.0200 | |
| 21 | L | C | 0.0000 | |
| 22 | S | C | -0.7401 | |
| 23 | C | C | 0.0000 | |
| 24 | R | C | -1.7871 | |
| 25 | A | C | 0.0000 | |
| 26 | S | C | -0.6608 | |
| 27 | K | C | -1.7327 | |
| 28 | G | C | -0.7197 | |
| 29 | V | C | 0.5662 | |
| 30 | S | C | -0.3837 | |
| 31 | T | C | -0.1709 | |
| 32 | S | C | -0.5942 | |
| 33 | G | C | 0.0000 | |
| 34 | Y | C | 0.0000 | |
| 35 | S | C | 0.0824 | |
| 36 | Y | C | 0.0000 | |
| 37 | L | C | 0.4450 | |
| 38 | H | C | 0.0000 | |
| 39 | W | C | 0.0000 | |
| 40 | Y | C | 0.0000 | |
| 41 | Q | C | 0.0000 | |
| 42 | Q | C | 0.0000 | |
| 43 | K | C | -2.4155 | |
| 44 | P | C | -1.8914 | |
| 45 | G | C | -1.4267 | |
| 46 | Q | C | -1.6488 | |
| 47 | A | C | 0.0000 | |
| 48 | P | C | 0.0000 | |
| 49 | R | C | -0.9119 | |
| 50 | L | C | 0.0000 | |
| 51 | L | C | 0.0000 | |
| 52 | I | C | 0.0000 | |
| 53 | Y | C | 0.0000 | |
| 54 | L | C | 1.3986 | |
| 55 | A | C | 0.3088 | |
| 56 | S | C | 0.2166 | |
| 57 | Y | C | 0.3519 | |
| 58 | L | C | 0.0000 | |
| 59 | E | C | -0.2397 | |
| 60 | S | C | 0.0000 | |
| 61 | G | C | -0.4127 | |
| 62 | V | C | 0.0194 | |
| 63 | P | C | -0.3799 | |
| 64 | A | C | 0.0000 | |
| 65 | R | C | -1.8119 | |
| 66 | F | C | -1.1165 | |
| 67 | S | C | -1.0474 | |
| 68 | G | C | -0.9031 | |
| 69 | S | C | -0.7957 | |
| 70 | G | C | -0.9693 | |
| 71 | S | C | -0.9934 | |
| 72 | G | C | -1.2298 | |
| 73 | T | C | -1.1511 | |
| 74 | D | C | -1.4646 | |
| 75 | F | C | -0.7889 | |
| 76 | T | C | -0.7549 | |
| 77 | L | C | 0.0000 | |
| 78 | T | C | -1.1845 | |
| 79 | I | C | 0.0000 | |
| 80 | S | C | -2.0319 | |
| 81 | S | C | -1.5791 | |
| 82 | L | C | -1.2574 | |
| 83 | E | C | -1.2923 | |
| 84 | P | C | -1.5007 | |
| 85 | E | C | -2.4439 | |
| 86 | D | C | 0.0000 | |
| 87 | F | C | 0.0000 | |
| 88 | A | C | -1.8033 | |
| 89 | V | C | 0.0000 | |
| 90 | Y | C | 0.0000 | |
| 91 | Y | C | 0.0000 | |
| 92 | C | C | 0.0000 | |
| 93 | Q | C | 0.0000 | |
| 94 | H | C | 0.0000 | |
| 95 | S | C | 0.0000 | |
| 96 | R | C | -1.0336 | |
| 97 | D | C | -1.6537 | |
| 98 | L | C | -0.8294 | |
| 99 | P | C | -0.6536 | |
| 100 | L | C | 0.0000 | |
| 101 | T | C | 0.0000 | |
| 102 | F | C | 0.4677 | |
| 103 | G | C | 0.0000 | |
| 104 | G | C | -0.5671 | |
| 105 | G | C | -0.9722 | |
| 106 | T | C | 0.0000 | |
| 107 | K | C | -2.1619 | |
| 108 | V | C | 0.0000 | |
| 109 | E | C | -1.9944 | |
| 110 | I | C | -1.0900 | |
| 111 | K | C | -1.4562 | |
| 112 | R | C | -1.7730 | |
| 113 | T | C | -1.2782 | |
| 114 | V | C | 0.0000 | |
| 115 | A | C | 0.0000 | |
| 116 | A | C | -0.7412 | |
| 117 | P | C | 0.0000 | |
| 118 | S | C | 0.0000 | |
| 119 | V | C | 0.0000 | |
| 120 | F | C | 0.0000 | |
| 121 | I | C | 0.0000 | |
| 122 | F | C | 0.0000 | |
| 123 | P | C | 0.0000 | |
| 124 | P | C | 0.0000 | |
| 125 | S | C | 0.0000 | |
| 126 | D | C | -2.8456 | |
| 127 | E | C | -2.3589 | |
| 128 | Q | C | 0.0000 | |
| 129 | L | C | -1.9764 | |
| 130 | K | C | -2.5433 | |
| 131 | S | C | -1.7449 | |
| 132 | G | C | -1.3864 | |
| 133 | T | C | -1.1012 | |
| 134 | A | C | 0.0000 | |
| 135 | S | C | 0.0000 | |
| 136 | V | C | 0.0000 | |
| 137 | V | C | 0.0000 | |
| 138 | C | C | 0.0000 | |
| 139 | L | C | 0.0000 | |
| 140 | L | C | 0.0000 | |
| 141 | N | C | 0.0000 | |
| 142 | N | C | 0.0000 | |
| 143 | F | C | 0.0000 | |
| 144 | Y | C | -1.2975 | |
| 145 | P | C | -1.6742 | |
| 146 | R | C | -3.0789 | |
| 147 | E | C | -2.8642 | |
| 148 | A | C | 0.0000 | |
| 149 | K | C | -2.7907 | |
| 150 | V | C | 0.0000 | |
| 151 | Q | C | -1.5039 | |
| 152 | W | C | 0.0000 | |
| 153 | K | C | -1.2342 | |
| 154 | V | C | 0.0000 | |
| 155 | D | C | -2.9553 | |
| 156 | N | C | -2.4866 | |
| 157 | A | C | -0.8227 | |
| 158 | L | C | 0.1601 | |
| 159 | Q | C | -0.5589 | |
| 160 | S | C | -1.0468 | |
| 161 | G | C | 0.0000 | |
| 162 | N | C | -1.9450 | |
| 163 | S | C | -1.4314 | |
| 164 | Q | C | -1.5147 | |
| 165 | E | C | -1.8878 | |
| 166 | S | C | -0.2060 | |
| 167 | V | C | 0.7967 | |
| 168 | T | C | 0.0000 | |
| 169 | E | C | -1.7823 | |
| 170 | Q | C | -1.9278 | |
| 171 | D | C | -2.6649 | |
| 172 | S | C | -1.6525 | |
| 173 | K | C | -1.7911 | |
| 174 | D | C | -2.1571 | |
| 175 | S | C | 0.0000 | |
| 176 | T | C | 0.0000 | |
| 177 | Y | C | -1.2856 | |
| 178 | S | C | 0.0000 | |
| 179 | L | C | -0.2584 | |
| 180 | S | C | 0.0000 | |
| 181 | S | C | 0.0000 | |
| 182 | T | C | -0.8169 | |
| 183 | L | C | 0.0000 | |
| 184 | T | C | -0.2547 | |
| 185 | L | C | -0.7195 | |
| 186 | S | C | -1.3962 | |
| 187 | K | C | -2.8173 | |
| 188 | A | C | -2.2969 | |
| 189 | D | C | -2.7500 | |
| 190 | Y | C | 0.0000 | |
| 191 | E | C | -3.9382 | |
| 192 | K | C | -3.9082 | |
| 193 | H | C | -3.5979 | |
| 194 | K | C | -3.7192 | |
| 195 | V | C | -2.7199 | |
| 196 | Y | C | 0.0000 | |
| 197 | A | C | -1.0588 | |
| 198 | C | C | 0.0000 | |
| 199 | E | C | -1.3642 | |
| 200 | V | C | 0.0000 | |
| 201 | T | C | -1.6756 | |
| 202 | H | C | 0.0000 | |
| 203 | Q | C | -2.4284 | |
| 204 | G | C | -1.5528 | |
| 205 | L | C | 0.0000 | |
| 206 | S | C | -0.4904 | |
| 207 | S | C | -0.2521 | |
| 208 | P | C | -0.5630 | |
| 209 | V | C | -0.3100 | |
| 210 | T | C | -0.6069 | |
| 211 | K | C | -0.7047 | |
| 212 | S | C | -0.6721 | |
| 213 | F | C | 0.0000 | |
| 214 | N | C | -2.3112 | |
| 215 | R | C | -3.1833 | |
| 216 | G | C | -2.0623 | |
| 217 | E | C | -1.8836 | |
| 218 | C | C | -0.7930 | |
| 1 | Q | D | -1.4191 | |
| 2 | V | D | -0.7903 | |
| 3 | Q | D | -1.1891 | |
| 4 | L | D | 0.0000 | |
| 5 | V | D | 0.0438 | |
| 6 | Q | D | 0.0000 | |
| 7 | S | D | -0.5699 | |
| 8 | G | D | -0.5273 | |
| 9 | V | D | 0.0000 | |
| 10 | E | D | -0.7443 | |
| 11 | V | D | 0.0000 | |
| 12 | K | D | -2.1656 | |
| 13 | K | D | -2.5183 | |
| 14 | P | D | -1.6327 | |
| 15 | G | D | -1.1842 | |
| 16 | A | D | -1.1965 | |
| 17 | S | D | -1.3865 | |
| 18 | V | D | 0.0000 | |
| 19 | K | D | -1.0242 | |
| 20 | V | D | 0.0000 | |
| 21 | S | D | -0.3542 | |
| 22 | C | D | 0.0000 | |
| 23 | K | D | -1.1801 | |
| 24 | A | D | 0.0000 | |
| 25 | S | D | -0.7926 | |
| 26 | G | D | -0.8664 | |
| 27 | Y | D | -0.5164 | |
| 28 | T | D | -0.6960 | |
| 29 | F | D | 0.0000 | |
| 30 | T | D | -0.9487 | |
| 31 | N | D | -1.3318 | |
| 32 | Y | D | 0.0000 | |
| 33 | Y | D | 0.0000 | |
| 34 | M | D | 0.0000 | |
| 35 | Y | 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 | -0.3604 | |
| 41 | P | D | -0.8955 | |
| 42 | G | D | -0.9737 | |
| 43 | Q | D | -1.1580 | |
| 44 | G | D | -0.6177 | |
| 45 | L | D | 0.0000 | |
| 46 | E | D | -0.5674 | |
| 47 | W | D | 0.0000 | |
| 48 | M | D | 0.0000 | |
| 49 | G | D | 0.0000 | |
| 50 | G | D | -0.0888 | |
| 51 | I | D | 0.0000 | |
| 52 | N | D | -1.0443 | |
| 53 | P | D | -1.2601 | |
| 54 | S | D | -1.2220 | |
| 55 | N | D | -1.7687 | |
| 56 | G | D | -0.7501 | |
| 57 | G | D | -0.6240 | |
| 58 | T | D | -0.2067 | |
| 59 | N | D | -0.3285 | |
| 60 | F | D | 0.3599 | |
| 61 | N | D | 0.0000 | |
| 62 | E | D | -2.6354 | |
| 63 | K | D | -2.0602 | |
| 64 | F | D | -0.4017 | |
| 65 | K | D | -1.9211 | |
| 66 | N | D | 0.0000 | |
| 67 | R | D | -2.4575 | |
| 68 | V | D | -1.5188 | |
| 69 | T | D | -0.7444 | |
| 70 | L | D | 0.0790 | |
| 71 | T | D | -0.1158 | |
| 72 | T | D | -0.5005 | |
| 73 | D | D | -1.1934 | |
| 74 | S | D | -0.8701 | |
| 75 | S | D | -0.6419 | |
| 76 | T | D | -0.7525 | |
| 77 | T | D | -0.9048 | |
| 78 | T | D | 0.0000 | |
| 79 | A | D | 0.0000 | |
| 80 | Y | D | -0.0234 | |
| 81 | M | D | 0.0000 | |
| 82 | E | D | -1.4482 | |
| 83 | L | D | 0.0000 | |
| 84 | K | D | -2.2987 | |
| 85 | S | D | -1.0792 | |
| 86 | L | D | 0.3936 | |
| 87 | Q | D | 0.2435 | |
| 88 | F | D | -0.3286 | |
| 89 | D | D | -1.6178 | |
| 90 | D | D | -0.9939 | |
| 91 | T | D | -0.6225 | |
| 92 | A | D | 0.0000 | |
| 93 | V | D | -0.1330 | |
| 94 | Y | D | 0.0000 | |
| 95 | Y | D | 0.0000 | |
| 96 | C | D | 0.0000 | |
| 97 | A | D | 0.0000 | |
| 98 | R | D | -0.2739 | |
| 99 | R | D | 0.0000 | |
| 100 | D | D | 0.0000 | |
| 101 | Y | D | 0.5112 | |
| 102 | R | D | -0.5433 | |
| 103 | F | D | 1.0844 | |
| 104 | D | D | -0.2690 | |
| 105 | M | D | 0.0000 | |
| 106 | G | D | 0.0000 | |
| 107 | F | D | 0.0000 | |
| 108 | D | D | 0.0000 | |
| 109 | Y | D | 0.0000 | |
| 110 | W | D | -0.5132 | |
| 111 | G | D | -1.1612 | |
| 112 | Q | D | -0.7939 | |
| 113 | G | D | -0.5338 | |
| 114 | T | D | 0.0000 | |
| 115 | T | D | 0.0000 | |
| 116 | V | D | 0.0000 | |
| 117 | T | D | 0.0000 | |
| 118 | V | D | -0.5762 | |
| 119 | S | D | -0.8386 | |
| 120 | S | D | -1.1153 | |
| 121 | A | D | -0.4992 | |
| 122 | S | D | -0.1368 | |
| 123 | T | D | -0.2906 | |
| 124 | K | D | -1.3084 | |
| 125 | G | D | -1.3677 | |
| 126 | P | D | -0.9235 | |
| 127 | S | D | -0.8026 | |
| 128 | V | D | 0.0000 | |
| 129 | F | D | 0.0000 | |
| 130 | P | D | -0.9872 | |
| 131 | L | D | 0.0000 | |
| 132 | A | D | 0.0000 | |
| 133 | P | D | 0.0000 | |
| 134 | C | D | -0.2081 | |
| 135 | S | D | -0.1482 | |
| 136 | R | D | 0.0000 | |
| 137 | S | D | -0.3355 | |
| 138 | T | D | -0.1058 | |
| 139 | S | D | 0.1335 | |
| 140 | E | D | 0.0704 | |
| 141 | S | D | 0.2593 | |
| 142 | T | D | 0.0000 | |
| 143 | A | D | 0.0000 | |
| 144 | A | D | 0.0000 | |
| 145 | L | D | 0.0000 | |
| 146 | G | D | 0.0000 | |
| 147 | C | D | 0.0000 | |
| 148 | L | D | 0.0000 | |
| 149 | V | D | 0.0000 | |
| 150 | K | D | -0.4547 | |
| 151 | D | D | -0.6743 | |
| 152 | Y | D | 0.0000 | |
| 153 | F | D | 0.7869 | |
| 154 | P | D | 0.0000 | |
| 155 | E | D | 0.0000 | |
| 156 | P | D | -0.1060 | |
| 157 | V | D | -0.0286 | |
| 158 | T | D | -0.4187 | |
| 159 | V | D | -0.0445 | |
| 160 | S | D | -0.3309 | |
| 161 | W | D | -0.3715 | |
| 162 | N | D | -1.4140 | |
| 163 | S | D | 0.0000 | |
| 164 | G | D | -0.8159 | |
| 165 | A | D | -0.3052 | |
| 166 | L | D | 0.0000 | |
| 167 | T | D | -0.3918 | |
| 168 | S | D | 0.0000 | |
| 169 | G | D | -0.2666 | |
| 170 | V | D | 0.2378 | |
| 171 | H | D | 0.0000 | |
| 172 | T | D | -0.3677 | |
| 173 | F | D | 0.0000 | |
| 174 | P | D | 0.2843 | |
| 175 | A | D | 0.6166 | |
| 176 | V | D | 0.7071 | |
| 177 | L | D | 1.5499 | |
| 178 | Q | D | -0.1548 | |
| 179 | S | D | -0.3957 | |
| 180 | S | D | -0.2654 | |
| 181 | G | D | 0.4101 | |
| 182 | L | D | 1.6706 | |
| 183 | Y | D | 1.2749 | |
| 184 | S | D | 0.0000 | |
| 185 | L | D | 0.4392 | |
| 186 | S | D | 0.0331 | |
| 187 | S | D | 0.0000 | |
| 188 | V | D | 0.0000 | |
| 189 | V | D | 0.0000 | |
| 190 | T | D | 0.0631 | |
| 191 | V | D | 0.0000 | |
| 192 | P | D | 0.0361 | |
| 193 | S | D | 0.2500 | |
| 194 | S | D | 0.2919 | |
| 195 | S | D | 0.5142 | |
| 196 | L | D | 1.3179 | |
| 197 | G | D | 0.4546 | |
| 198 | T | D | 0.1883 | |
| 199 | K | D | 0.0000 | |
| 200 | T | D | -0.6783 | |
| 201 | Y | D | 0.0000 | |
| 202 | T | D | -2.0293 | |
| 203 | C | D | 0.0000 | |
| 204 | N | D | -2.2879 | |
| 205 | V | D | 0.0000 | |
| 206 | D | D | -2.0657 | |
| 207 | H | D | 0.0000 | |
| 208 | K | D | -1.6067 | |
| 209 | P | D | 0.0000 | |
| 210 | S | D | -1.4072 | |
| 211 | N | D | -2.2282 | |
| 212 | T | D | -2.1853 | |
| 213 | K | D | -3.0703 | |
| 214 | V | D | -2.5585 | |
| 215 | D | D | -3.4252 | |
| 216 | K | D | -3.4378 | |
| 217 | R | D | -3.1168 | |
| 218 | V | D | -1.5263 | |
| 219 | E | D | 0.0000 | |
| 220 | S | D | -0.4258 | |
| 221 | K | D | 0.0000 | |
| 222 | Y | D | 0.6918 | |
| 223 | G | D | 0.3816 | |
| 224 | P | D | -0.1572 | |
| 225 | P | D | -0.7302 | |
| 226 | C | D | 0.0000 | |
| 227 | P | D | 0.0000 | |
| 228 | P | D | -0.9869 | |
| 229 | C | D | 0.0000 | |
| 230 | P | D | -0.5172 | |
| 231 | A | D | 0.0602 | |
| 232 | P | D | 0.2143 | |
| 233 | E | D | 0.4602 | |
| 234 | F | D | 1.2711 | |
| 235 | L | D | 1.4847 | |
| 236 | G | D | 0.0760 | |
| 237 | G | D | -0.7085 | |
| 238 | P | D | 0.0000 | |
| 239 | S | D | -0.1093 | |
| 240 | V | D | 0.0000 | |
| 241 | F | D | 1.9918 | |
| 242 | L | D | 0.0000 | |
| 243 | F | D | 0.0000 | |
| 244 | P | D | -0.5614 | |
| 245 | P | D | 0.0000 | |
| 246 | K | D | -2.2020 | |
| 247 | P | D | -1.8323 | |
| 248 | K | D | -1.5760 | |
| 249 | D | D | 0.0000 | |
| 250 | T | D | 0.0000 | |
| 251 | L | D | 0.0000 | |
| 252 | M | D | 0.3091 | |
| 253 | I | D | 0.3611 | |
| 254 | S | D | -0.2287 | |
| 255 | R | D | -0.7993 | |
| 256 | T | D | 0.0000 | |
| 257 | P | D | -0.8008 | |
| 258 | E | D | -1.6534 | |
| 259 | V | D | 0.0000 | |
| 260 | T | D | -0.7062 | |
| 261 | C | D | 0.0000 | |
| 262 | V | D | 0.0000 | |
| 263 | V | D | 0.0000 | |
| 264 | V | D | -0.7563 | |
| 265 | D | D | -2.0678 | |
| 266 | V | D | 0.0000 | |
| 267 | S | D | -2.1404 | |
| 268 | Q | D | -2.5112 | |
| 269 | E | D | -3.3733 | |
| 270 | D | D | -3.7543 | |
| 271 | P | D | -3.0727 | |
| 272 | E | D | -3.1670 | |
| 273 | V | D | 0.0000 | |
| 274 | Q | D | -2.4837 | |
| 275 | F | D | 0.0000 | |
| 276 | N | D | -1.7096 | |
| 277 | W | D | 0.0000 | |
| 278 | Y | D | -0.4132 | |
| 279 | V | D | -1.1316 | |
| 280 | D | D | -2.6915 | |
| 281 | G | D | -2.1731 | |
| 282 | V | D | 0.0000 | |
| 283 | E | D | -1.9594 | |
| 284 | V | D | -1.6182 | |
| 285 | H | D | -1.8046 | |
| 286 | N | D | -2.5122 | |
| 287 | A | D | 0.0000 | |
| 288 | K | D | -2.7475 | |
| 289 | T | D | -2.2763 | |
| 290 | K | D | -2.6179 | |
| 291 | P | D | -2.5941 | |
| 292 | R | D | -3.2920 | |
| 293 | E | D | -3.8743 | |
| 294 | E | D | -3.9214 | |
| 295 | Q | D | -2.6521 | |
| 296 | F | D | -0.1592 | |
| 297 | N | D | -0.7640 | |
| 298 | S | D | -1.4443 | |
| 299 | T | D | -2.0805 | |
| 300 | Y | D | 0.0000 | |
| 301 | R | D | -3.4104 | |
| 302 | V | D | 0.0000 | |
| 303 | V | D | -1.0790 | |
| 304 | S | D | 0.0000 | |
| 305 | V | D | 0.0000 | |
| 306 | L | D | 0.0000 | |
| 307 | T | D | -1.0065 | |
| 308 | V | D | 0.0000 | |
| 309 | L | D | 0.2969 | |
| 310 | H | D | -0.1470 | |
| 311 | Q | D | -1.0068 | |
| 312 | D | D | -1.2079 | |
| 313 | W | D | 0.0000 | |
| 314 | L | D | -0.0361 | |
| 315 | N | D | -1.7973 | |
| 316 | G | D | -1.7183 | |
| 317 | K | D | 0.0000 | |
| 318 | E | D | -2.6142 | |
| 319 | Y | D | 0.0000 | |
| 320 | K | D | -1.3976 | |
| 321 | C | D | 0.0000 | |
| 322 | K | D | -2.0109 | |
| 323 | V | D | 0.0000 | |
| 324 | S | D | -1.6169 | |
| 325 | N | D | 0.0000 | |
| 326 | K | D | -3.0768 | |
| 327 | G | D | -2.4826 | |
| 328 | L | D | -1.6094 | |
| 329 | P | D | -0.8859 | |
| 330 | S | D | -0.8889 | |
| 331 | S | D | -1.0698 | |
| 332 | I | D | -0.9592 | |
| 333 | E | D | -2.2843 | |
| 334 | K | D | -1.6257 | |
| 335 | T | D | -1.3762 | |
| 336 | I | D | -0.8401 | |
| 337 | S | D | -0.9624 | |
| 338 | K | D | -0.8148 | |
| 339 | A | D | -0.7403 | |
| 340 | K | D | -1.3366 | |
| 341 | G | D | -1.1455 | |
| 342 | Q | D | -0.9767 | |
| 343 | P | D | -0.8710 | |
| 344 | R | D | -0.5546 | |
| 345 | E | D | 0.0000 | |
| 346 | P | D | -0.1963 | |
| 347 | Q | D | 0.0000 | |
| 348 | V | D | 1.1103 | |
| 349 | Y | D | 0.8225 | |
| 350 | T | D | 0.4160 | |
| 351 | L | D | 0.0000 | |
| 352 | P | D | 0.0612 | |
| 353 | P | D | 0.0000 | |
| 354 | S | D | -0.4752 | |
| 355 | Q | D | -1.0192 | |
| 356 | E | D | -1.2230 | |
| 357 | E | D | 0.0000 | |
| 358 | M | D | -0.7611 | |
| 359 | T | D | -1.0706 | |
| 360 | K | D | -1.9869 | |
| 361 | N | D | -2.6287 | |
| 362 | Q | D | -2.2733 | |
| 363 | V | D | 0.0000 | |
| 364 | S | D | 0.0000 | |
| 365 | L | D | 0.0000 | |
| 366 | T | D | 0.0000 | |
| 367 | C | D | 0.0000 | |
| 368 | L | D | 0.0000 | |
| 369 | V | D | 0.0000 | |
| 370 | K | D | 0.0000 | |
| 371 | G | D | 0.1967 | |
| 372 | F | D | 0.3230 | |
| 373 | Y | D | 0.0000 | |
| 374 | P | D | 0.0000 | |
| 375 | S | D | -0.4964 | |
| 376 | D | D | -0.4571 | |
| 377 | I | D | 0.0048 | |
| 378 | A | D | -0.0267 | |
| 379 | V | D | -0.4018 | |
| 380 | E | D | -1.2504 | |
| 381 | W | D | -1.2490 | |
| 382 | E | D | -2.1937 | |
| 383 | S | D | -1.6458 | |
| 384 | N | D | -1.7811 | |
| 385 | G | D | -1.6066 | |
| 386 | Q | D | 0.0000 | |
| 387 | P | D | -0.8466 | |
| 388 | E | D | -1.0930 | |
| 389 | N | D | -1.2832 | |
| 390 | N | D | 0.0000 | |
| 391 | Y | D | 0.2212 | |
| 392 | K | D | 0.0000 | |
| 393 | T | D | 0.2804 | |
| 394 | T | D | 0.0000 | |
| 395 | P | D | 0.1173 | |
| 396 | P | D | 0.0317 | |
| 397 | V | D | 0.0000 | |
| 398 | L | D | 0.6434 | |
| 399 | D | D | 0.0071 | |
| 400 | S | D | 0.0000 | |
| 401 | D | D | -0.4488 | |
| 402 | G | D | -0.4111 | |
| 403 | S | D | 0.0000 | |
| 404 | F | D | 0.5355 | |
| 405 | F | D | 0.0000 | |
| 406 | L | D | 0.3632 | |
| 407 | Y | D | 0.0000 | |
| 408 | S | D | 0.0000 | |
| 409 | R | D | 0.0000 | |
| 410 | L | D | 0.0000 | |
| 411 | T | D | 0.0000 | |
| 412 | V | D | 0.0000 | |
| 413 | D | D | -2.6433 | |
| 414 | K | D | -3.2338 | |
| 415 | S | D | -2.3745 | |
| 416 | R | D | -3.1782 | |
| 417 | W | D | -1.9090 | |
| 418 | Q | D | -1.2579 | |
| 419 | Q | D | -1.7745 | |
| 420 | G | D | -1.7503 | |
| 421 | N | D | -1.1646 | |
| 422 | V | D | -0.2569 | |
| 423 | F | D | 0.0000 | |
| 424 | S | D | -1.1567 | |
| 425 | C | D | 0.0000 | |
| 426 | S | D | 0.0000 | |
| 427 | V | D | 0.0000 | |
| 428 | M | D | -0.1443 | |
| 429 | H | D | 0.0278 | |
| 430 | E | D | 0.0000 | |
| 431 | A | D | -0.0820 | |
| 432 | L | D | 0.4227 | |
| 433 | H | D | -0.0759 | |
| 434 | N | D | 0.0000 | |
| 435 | H | D | -0.2347 | |
| 436 | Y | D | 0.4096 | |
| 437 | T | D | -0.0265 | |
| 438 | Q | D | -1.0152 | |
| 439 | K | D | 0.0000 | |
| 440 | S | D | -0.3218 | |
| 441 | L | D | 0.0000 | |
| 442 | S | D | 0.2196 | |
| 443 | L | D | 0.3933 | |
| 444 | S | D | 0.0385 |
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, -0.6327 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_2 | -0.6327 | View | CSV | PDB |
| model_4 | -0.6475 | View | CSV | PDB |
| model_3 | -0.6497 | View | CSV | PDB |
| model_1 | -0.6532 | View | CSV | PDB |
| model_7 | -0.6542 | View | CSV | PDB |
| model_6 | -0.6564 | View | CSV | PDB |
| model_11 | -0.6644 | View | CSV | PDB |
| model_0 | -0.6815 | View | CSV | PDB |
| model_8 | -0.6823 | View | CSV | PDB |
| model_10 | -0.6875 | View | CSV | PDB |
| model_9 | -0.7106 | View | CSV | PDB |
| model_5 | -0.721 | View | CSV | PDB |
| input | -0.7324 | 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