| Chain sequence(s) |
A: VQLVESGGGSVQAGGSLRLSCTASGGSSYSTFSLGWFRQAPGQEREAVAAIASMGGLTYYADSVKGRFTISRDNAKNTVTLQMNNLKPEDTAIYYCAAVRGYFMRLPSSHNFRYWGQGTQVTVSS
C: VQLVESGGGSVQAGGSLRLSCTASGGSSYSTFSLGWFRQAPGQEREAVAAIASMGGLTYYADSVKGRFTISRDNAKNTVTLQMNNLKPEDTAIYYCAAVRGYFMRLPSSHNFRYWGQGTQVTVSS B: VQLVESGGGSVQAGGSLRLSCTASGGSSYSTFSLGWFRQAPGQEREAVAAIASMGGLTYYADSVKGRFTISRDNAKNTVTLQMNNLKPEDTAIYYCAAVRGYFMRLPSSHNFRYWGQGTQVTVSS E: VQLVESGGGSVQAGGSLRLSCTASGGSSYSTFSLGWFRQAPGQEREAVAAIASMGGLTYYADSVKGRFTISRDNAKNTVTLQMNNLKPEDTAIYYCAAVRGYFMRLPSSHNFRYWGQGTQVTVSS D: VQLVESGGGSVQAGGSLRLSCTASGGSSYSTFSLGWFRQAPGQEREAVAAIASMGGLTYYADSVKGRFTISRDNAKNTVTLQMNNLKPEDTAIYYCAAVRGYFMRLPSSHNFRYWGQGTQVTVSS G: VQLVESGGGSVQAGGSLRLSCTASGGSSYSTFSLGWFRQAPGQEREAVAAIASMGGLTYYADSVKGRFTISRDNAKNTVTLQMNNLKPEDTAIYYCAAVRGYFMRLPSSHNFRYWGQGTQVTVSS F: VQLVESGGGSVQAGGSLRLSCTASGGSSYSTFSLGWFRQAPGQEREAVAAIASMGGLTYYADSVKGRFTISRDNAKNTVTLQMNNLKPEDTAIYYCAAVRGYFMRLPSSHNFRYWGQGTQVTVSS H: VQLVESGGGSVQAGGSLRLSCTASGGSSYSTFSLGWFRQAPGQEREAVAAIASMGGLTYYADSVKGRFTISRDNAKNTVTLQMNNLKPEDTAIYYCAAVRGYFMRLPSSHNFRYWGQGTQVTVSS input PDB |
| Selected Chain(s) | A,C,B,E,D,G,F,H |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:02)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:21:34)
[INFO] Main: Simulation completed successfully. (00:21:58)
|
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 | |
| 2 | V | A | 0.6333 | |
| 3 | Q | A | -0.3563 | |
| 4 | L | A | 0.0000 | |
| 5 | V | A | 0.7074 | |
| 6 | E | A | 0.0117 | |
| 7 | S | A | -0.2853 | |
| 8 | G | A | -1.0515 | |
| 9 | G | A | -0.8438 | |
| 10 | G | A | -0.7423 | |
| 11 | S | A | -0.7123 | |
| 12 | V | A | -0.6872 | |
| 13 | Q | A | -1.6697 | |
| 14 | A | A | -1.4067 | |
| 15 | G | A | -1.0299 | |
| 16 | G | A | 0.0000 | |
| 17 | S | A | 0.0000 | |
| 18 | L | A | 0.0000 | |
| 19 | R | A | -0.8854 | |
| 20 | L | A | 0.0000 | |
| 21 | S | A | -0.2503 | |
| 22 | C | A | 0.0000 | |
| 23 | T | A | -0.4404 | |
| 24 | A | A | -0.2056 | |
| 25 | S | A | -0.1975 | |
| 26 | G | A | -0.5094 | |
| 27 | G | A | -0.6613 | |
| 28 | S | A | -0.3619 | |
| 31 | S | A | -0.6926 | |
| 32 | Y | A | 0.0000 | |
| 33 | S | A | -0.7906 | |
| 34 | T | A | -0.6039 | |
| 35 | F | A | -0.6262 | |
| 36 | S | A | 0.0000 | |
| 37 | L | A | 0.0000 | |
| 38 | G | A | 0.0000 | |
| 39 | W | A | 0.0000 | |
| 40 | F | A | 0.0000 | |
| 41 | R | A | 0.0000 | |
| 42 | Q | A | -1.8670 | |
| 43 | A | A | -1.7257 | |
| 44 | P | A | -1.2194 | |
| 45 | G | A | -1.7331 | |
| 46 | Q | A | -2.8061 | |
| 47 | E | A | -3.2591 | |
| 48 | R | A | -2.5283 | |
| 49 | E | A | -2.1951 | |
| 50 | A | A | -0.7901 | |
| 51 | V | A | 0.0000 | |
| 52 | A | A | 0.0000 | |
| 53 | A | A | 0.0000 | |
| 54 | I | A | 0.0000 | |
| 55 | A | A | 0.0000 | |
| 56 | S | A | 0.0000 | |
| 57 | M | A | 0.0000 | |
| 58 | G | A | -0.6548 | |
| 59 | G | A | -0.3745 | |
| 60 | L | A | -0.2374 | |
| 61 | T | A | -0.1540 | |
| 62 | Y | A | -0.4617 | |
| 63 | Y | A | -0.9989 | |
| 64 | A | A | -1.3125 | |
| 65 | D | A | -2.4323 | |
| 66 | S | A | -1.8401 | |
| 67 | V | A | 0.0000 | |
| 68 | K | A | -2.5818 | |
| 69 | G | A | -1.8532 | |
| 70 | R | A | -1.4464 | |
| 71 | F | A | 0.0000 | |
| 72 | T | A | -0.5994 | |
| 73 | I | A | 0.0000 | |
| 74 | S | A | -0.5296 | |
| 75 | R | A | -1.2816 | |
| 76 | D | A | -1.9758 | |
| 77 | N | A | -2.0837 | |
| 78 | A | A | -1.6493 | |
| 79 | K | A | -2.4661 | |
| 80 | N | A | -1.9194 | |
| 81 | T | A | -1.2300 | |
| 82 | V | A | 0.0000 | |
| 83 | T | A | -0.4450 | |
| 84 | L | A | 0.0000 | |
| 85 | Q | A | 0.0000 | |
| 86 | M | A | 0.0000 | |
| 87 | N | A | -1.1854 | |
| 88 | N | A | -1.5733 | |
| 89 | L | A | 0.0000 | |
| 90 | K | A | -2.0544 | |
| 91 | P | A | -1.7138 | |
| 92 | E | A | -2.2391 | |
| 93 | D | A | 0.0000 | |
| 94 | T | A | -1.0630 | |
| 95 | A | A | 0.0000 | |
| 96 | I | A | -0.4643 | |
| 97 | Y | A | 0.0000 | |
| 98 | Y | A | -0.3084 | |
| 99 | C | A | 0.0000 | |
| 100 | A | A | 0.0000 | |
| 101 | A | A | 0.0000 | |
| 102 | V | A | 0.0000 | |
| 103 | R | A | -1.6629 | |
| 104 | G | A | 0.0000 | |
| 105 | Y | A | 0.0000 | |
| 106 | F | A | 0.0000 | |
| 107 | M | A | -0.7467 | |
| 108 | R | A | -1.6173 | |
| 109 | L | A | -0.3360 | |
| 110 | P | A | 0.0000 | |
| 111 | S | A | -0.8832 | |
| 112 | S | A | -1.0058 | |
| 113 | H | A | -1.2961 | |
| 114 | N | A | -1.0380 | |
| 115 | F | A | 0.0000 | |
| 116 | R | A | -1.2563 | |
| 117 | Y | A | -0.1461 | |
| 118 | W | A | 0.0147 | |
| 119 | G | A | -0.3113 | |
| 120 | Q | A | -1.0212 | |
| 121 | G | A | -0.6524 | |
| 122 | T | A | -0.7598 | |
| 123 | Q | A | -1.2093 | |
| 124 | V | A | 0.0000 | |
| 125 | T | A | -0.9223 | |
| 126 | V | A | 0.0000 | |
| 127 | S | A | -1.1016 | |
| 128 | S | A | -0.7662 | |
| 2 | V | B | 0.1188 | |
| 3 | Q | B | -0.6013 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 0.6208 | |
| 6 | E | B | -0.0363 | |
| 7 | S | B | -0.2933 | |
| 8 | G | B | -0.8803 | |
| 9 | G | B | -0.8490 | |
| 10 | G | B | -0.7672 | |
| 11 | S | B | -0.7751 | |
| 12 | V | B | -0.8178 | |
| 13 | Q | B | -1.6638 | |
| 14 | A | B | -1.5158 | |
| 15 | G | B | -1.3478 | |
| 16 | G | B | 0.0000 | |
| 17 | S | B | 0.0000 | |
| 18 | L | B | 0.0000 | |
| 19 | R | B | -0.7287 | |
| 20 | L | B | 0.0000 | |
| 21 | S | B | -0.2278 | |
| 22 | C | B | 0.0000 | |
| 23 | T | B | -0.5421 | |
| 24 | A | B | -0.4243 | |
| 25 | S | B | -0.5844 | |
| 26 | G | B | -0.7308 | |
| 27 | G | B | -0.6663 | |
| 28 | S | B | -0.4074 | |
| 31 | S | B | -0.5998 | |
| 32 | Y | B | 0.0000 | |
| 33 | S | B | -0.6924 | |
| 34 | T | B | 0.0000 | |
| 35 | F | B | -0.5224 | |
| 36 | S | B | 0.0000 | |
| 37 | L | B | 0.0000 | |
| 38 | G | B | 0.0000 | |
| 39 | W | B | 0.0000 | |
| 40 | F | B | 0.0000 | |
| 41 | R | B | 0.0000 | |
| 42 | Q | B | -2.0537 | |
| 43 | A | B | -1.8242 | |
| 44 | P | B | -1.2490 | |
| 45 | G | B | -1.7489 | |
| 46 | Q | B | -2.8906 | |
| 47 | E | B | -3.4145 | |
| 48 | R | B | -2.8363 | |
| 49 | E | B | -2.6000 | |
| 50 | A | B | -0.9864 | |
| 51 | V | B | 0.0000 | |
| 52 | A | B | 0.0000 | |
| 53 | A | B | 0.0000 | |
| 54 | I | B | 0.0000 | |
| 55 | A | B | 0.0000 | |
| 56 | S | B | 0.0000 | |
| 57 | M | B | 0.0000 | |
| 58 | G | B | -0.6524 | |
| 59 | G | B | -0.3666 | |
| 60 | L | B | -0.2329 | |
| 61 | T | B | -0.1587 | |
| 62 | Y | B | -0.4588 | |
| 63 | Y | B | -0.9822 | |
| 64 | A | B | -1.3574 | |
| 65 | D | B | -2.4452 | |
| 66 | S | B | -1.8307 | |
| 67 | V | B | 0.0000 | |
| 68 | K | B | -2.5839 | |
| 69 | G | B | -1.8483 | |
| 70 | R | B | -1.4241 | |
| 71 | F | B | 0.0000 | |
| 72 | T | B | -0.5626 | |
| 73 | I | B | 0.0000 | |
| 74 | S | B | -0.5023 | |
| 75 | R | B | -1.1757 | |
| 76 | D | B | -1.7446 | |
| 77 | N | B | -1.7731 | |
| 78 | A | B | -1.4983 | |
| 79 | K | B | -2.3431 | |
| 80 | N | B | -1.7830 | |
| 81 | T | B | -1.1403 | |
| 82 | V | B | 0.0000 | |
| 83 | T | B | -0.4106 | |
| 84 | L | B | 0.0000 | |
| 85 | Q | B | 0.0000 | |
| 86 | M | B | 0.0000 | |
| 87 | N | B | -1.2056 | |
| 88 | N | B | -1.6880 | |
| 89 | L | B | 0.0000 | |
| 90 | K | B | -2.3286 | |
| 91 | P | B | -1.9268 | |
| 92 | E | B | -2.2990 | |
| 93 | D | B | 0.0000 | |
| 94 | T | B | -1.1425 | |
| 95 | A | B | 0.0000 | |
| 96 | I | B | -0.5613 | |
| 97 | Y | B | 0.0000 | |
| 98 | Y | B | -0.3904 | |
| 99 | C | B | 0.0000 | |
| 100 | A | B | 0.0000 | |
| 101 | A | B | 0.0000 | |
| 102 | V | B | 0.0000 | |
| 103 | R | B | -1.6539 | |
| 104 | G | B | 0.0000 | |
| 105 | Y | B | 0.0000 | |
| 106 | F | B | 0.0000 | |
| 107 | M | B | -0.7511 | |
| 108 | R | B | -1.6304 | |
| 109 | L | B | -0.3412 | |
| 110 | P | B | 0.0000 | |
| 111 | S | B | -0.9827 | |
| 112 | S | B | -1.1598 | |
| 113 | H | B | -1.4205 | |
| 114 | N | B | -1.2357 | |
| 115 | F | B | 0.0000 | |
| 116 | R | B | -2.0387 | |
| 117 | Y | B | -0.6268 | |
| 118 | W | B | -0.2130 | |
| 119 | G | B | 0.0000 | |
| 120 | Q | B | -1.0329 | |
| 121 | G | B | -0.6981 | |
| 122 | T | B | 0.0000 | |
| 123 | Q | B | -1.2477 | |
| 124 | V | B | 0.0000 | |
| 125 | T | B | -0.9996 | |
| 126 | V | B | 0.0000 | |
| 127 | S | B | -1.1763 | |
| 128 | S | B | -0.7933 | |
| 2 | V | C | 0.2270 | |
| 3 | Q | C | -0.6222 | |
| 4 | L | C | 0.0000 | |
| 5 | V | C | 0.6202 | |
| 6 | E | C | -0.0961 | |
| 7 | S | C | -0.3855 | |
| 8 | G | C | -1.1110 | |
| 9 | G | C | -0.9750 | |
| 10 | G | C | -0.7137 | |
| 11 | S | C | -0.6815 | |
| 12 | V | C | -0.6370 | |
| 13 | Q | C | -1.5765 | |
| 14 | A | C | -1.5131 | |
| 15 | G | C | -1.1946 | |
| 16 | G | C | 0.0000 | |
| 17 | S | C | 0.0000 | |
| 18 | L | C | 0.0000 | |
| 19 | R | C | -0.9057 | |
| 20 | L | C | 0.0000 | |
| 21 | S | C | -0.3242 | |
| 22 | C | C | 0.0000 | |
| 23 | T | C | -0.4331 | |
| 24 | A | C | -0.3474 | |
| 25 | S | C | -0.5898 | |
| 26 | G | C | -0.7079 | |
| 27 | G | C | -0.6694 | |
| 28 | S | C | -0.4361 | |
| 31 | S | C | -0.6981 | |
| 32 | Y | C | 0.0000 | |
| 33 | S | C | -0.8626 | |
| 34 | T | C | -0.4912 | |
| 35 | F | C | 0.0000 | |
| 36 | S | C | 0.0000 | |
| 37 | L | C | 0.0000 | |
| 38 | G | C | 0.0000 | |
| 39 | W | C | 0.0000 | |
| 40 | F | C | 0.0000 | |
| 41 | R | C | 0.0000 | |
| 42 | Q | C | -1.8965 | |
| 43 | A | C | -1.7555 | |
| 44 | P | C | -1.2226 | |
| 45 | G | C | -1.7330 | |
| 46 | Q | C | -2.8004 | |
| 47 | E | C | -3.2524 | |
| 48 | R | C | -2.5421 | |
| 49 | E | C | -2.2435 | |
| 50 | A | C | -1.0407 | |
| 51 | V | C | 0.0000 | |
| 52 | A | C | 0.0000 | |
| 53 | A | C | 0.0000 | |
| 54 | I | C | 0.0000 | |
| 55 | A | C | 0.0000 | |
| 56 | S | C | 0.0000 | |
| 57 | M | C | 0.0000 | |
| 58 | G | C | -0.7226 | |
| 59 | G | C | -0.4463 | |
| 60 | L | C | -0.2122 | |
| 61 | T | C | -0.1676 | |
| 62 | Y | C | -0.5280 | |
| 63 | Y | C | -1.0274 | |
| 64 | A | C | -1.3918 | |
| 65 | D | C | -2.3953 | |
| 66 | S | C | -1.7648 | |
| 67 | V | C | 0.0000 | |
| 68 | K | C | -2.5486 | |
| 69 | G | C | -1.8226 | |
| 70 | R | C | -1.3932 | |
| 71 | F | C | 0.0000 | |
| 72 | T | C | -0.5572 | |
| 73 | I | C | 0.0000 | |
| 74 | S | C | -0.4933 | |
| 75 | R | C | -1.3027 | |
| 76 | D | C | -1.8865 | |
| 77 | N | C | -2.1675 | |
| 78 | A | C | -1.6528 | |
| 79 | K | C | -2.4537 | |
| 80 | N | C | -1.9530 | |
| 81 | T | C | -1.2381 | |
| 82 | V | C | 0.0000 | |
| 83 | T | C | -0.4341 | |
| 84 | L | C | 0.0000 | |
| 85 | Q | C | 0.0000 | |
| 86 | M | C | 0.0000 | |
| 87 | N | C | -1.1948 | |
| 88 | N | C | -1.7079 | |
| 89 | L | C | 0.0000 | |
| 90 | K | C | -2.2762 | |
| 91 | P | C | -1.9156 | |
| 92 | E | C | -2.2998 | |
| 93 | D | C | 0.0000 | |
| 94 | T | C | -1.1447 | |
| 95 | A | C | 0.0000 | |
| 96 | I | C | -0.5367 | |
| 97 | Y | C | 0.0000 | |
| 98 | Y | C | -0.3457 | |
| 99 | C | C | 0.0000 | |
| 100 | A | C | 0.0000 | |
| 101 | A | C | 0.0000 | |
| 102 | V | C | 0.0000 | |
| 103 | R | C | -1.4393 | |
| 104 | G | C | 0.0000 | |
| 105 | Y | C | 0.0000 | |
| 106 | F | C | 0.0000 | |
| 107 | M | C | -1.0392 | |
| 108 | R | C | -1.7832 | |
| 109 | L | C | -0.5589 | |
| 110 | P | C | 0.0000 | |
| 111 | S | C | -1.2067 | |
| 112 | S | C | -1.1822 | |
| 113 | H | C | -1.7111 | |
| 114 | N | C | -1.5105 | |
| 115 | F | C | 0.0000 | |
| 116 | R | C | -1.5098 | |
| 117 | Y | C | -0.6075 | |
| 118 | W | C | -0.1916 | |
| 119 | G | C | -0.3903 | |
| 120 | Q | C | -1.0375 | |
| 121 | G | C | 0.0000 | |
| 122 | T | C | -0.9301 | |
| 123 | Q | C | -1.2497 | |
| 124 | V | C | 0.0000 | |
| 125 | T | C | -0.9680 | |
| 126 | V | C | 0.0000 | |
| 127 | S | C | -1.1843 | |
| 128 | S | C | -0.8250 | |
| 2 | V | D | 0.0433 | |
| 3 | Q | D | -0.6672 | |
| 4 | L | D | 0.0000 | |
| 5 | V | D | 0.8355 | |
| 6 | E | D | 0.0200 | |
| 7 | S | D | -0.3417 | |
| 8 | G | D | -1.0684 | |
| 9 | G | D | -0.9789 | |
| 10 | G | D | -0.7495 | |
| 11 | S | D | -0.7215 | |
| 12 | V | D | -0.6975 | |
| 13 | Q | D | -1.7336 | |
| 14 | A | D | -1.5015 | |
| 15 | G | D | -1.3507 | |
| 16 | G | D | 0.0000 | |
| 17 | S | D | 0.0000 | |
| 18 | L | D | 0.0000 | |
| 19 | R | D | -0.8821 | |
| 20 | L | D | 0.0000 | |
| 21 | S | D | -0.2648 | |
| 22 | C | D | 0.0000 | |
| 23 | T | D | -0.3343 | |
| 24 | A | D | 0.0000 | |
| 25 | S | D | -0.3701 | |
| 26 | G | D | -0.7613 | |
| 27 | G | D | -0.6686 | |
| 28 | S | D | -0.3846 | |
| 32 | Y | D | -0.6537 | |
| 33 | S | D | -0.7044 | |
| 34 | T | D | -0.3494 | |
| 35 | F | D | 0.0000 | |
| 36 | S | D | 0.0000 | |
| 37 | L | D | 0.0000 | |
| 38 | G | D | 0.0000 | |
| 39 | W | D | 0.0000 | |
| 40 | F | D | 0.0000 | |
| 41 | R | D | 0.0000 | |
| 42 | Q | D | -1.9734 | |
| 43 | A | D | -1.7949 | |
| 44 | P | D | -1.2467 | |
| 45 | G | D | -1.7480 | |
| 46 | Q | D | -2.8148 | |
| 47 | E | D | -3.2957 | |
| 48 | R | D | -2.6108 | |
| 49 | E | D | -2.2861 | |
| 50 | A | D | -0.8603 | |
| 51 | V | D | 0.0000 | |
| 52 | A | D | 0.0000 | |
| 53 | A | D | 0.0000 | |
| 54 | I | D | 0.0000 | |
| 55 | A | D | 0.0000 | |
| 56 | S | D | 0.0000 | |
| 57 | M | D | 0.0000 | |
| 58 | G | D | -0.7185 | |
| 59 | G | D | -0.3035 | |
| 60 | L | D | -0.2077 | |
| 61 | T | D | -0.1310 | |
| 62 | Y | D | -0.5061 | |
| 63 | Y | D | -0.9745 | |
| 64 | A | D | -1.3841 | |
| 65 | D | D | -2.4071 | |
| 66 | S | D | -1.8278 | |
| 67 | V | D | 0.0000 | |
| 68 | K | D | -2.5455 | |
| 69 | G | D | -1.8469 | |
| 70 | R | D | -1.4693 | |
| 71 | F | D | 0.0000 | |
| 72 | T | D | -0.5593 | |
| 73 | I | D | 0.0000 | |
| 74 | S | D | -0.4872 | |
| 75 | R | D | -1.2684 | |
| 76 | D | D | -1.7884 | |
| 77 | N | D | -1.8923 | |
| 78 | A | D | -1.5216 | |
| 79 | K | D | -2.3283 | |
| 80 | N | D | -1.7450 | |
| 81 | T | D | -1.1290 | |
| 82 | V | D | 0.0000 | |
| 83 | T | D | -0.4320 | |
| 84 | L | D | 0.0000 | |
| 85 | Q | D | 0.0000 | |
| 86 | M | D | 0.0000 | |
| 87 | N | D | -1.2999 | |
| 88 | N | D | -1.8575 | |
| 89 | L | D | 0.0000 | |
| 90 | K | D | -2.2641 | |
| 91 | P | D | -1.7970 | |
| 92 | E | D | -2.2933 | |
| 93 | D | D | 0.0000 | |
| 94 | T | D | -1.1566 | |
| 95 | A | D | 0.0000 | |
| 96 | I | D | -0.6239 | |
| 97 | Y | D | 0.0000 | |
| 98 | Y | D | -0.2387 | |
| 99 | C | D | 0.0000 | |
| 100 | A | D | 0.0000 | |
| 101 | A | D | 0.0000 | |
| 102 | V | D | 0.0000 | |
| 103 | R | D | -1.2246 | |
| 104 | G | D | 0.0000 | |
| 105 | Y | D | 0.0000 | |
| 106 | F | D | 0.0000 | |
| 107 | M | D | -1.1124 | |
| 108 | R | D | -1.8325 | |
| 109 | L | D | -0.5726 | |
| 110 | P | D | 0.0000 | |
| 111 | S | D | -1.0696 | |
| 112 | S | D | -1.0877 | |
| 113 | H | D | -1.5676 | |
| 114 | N | D | 0.0000 | |
| 115 | F | D | 0.0000 | |
| 116 | R | D | -1.4315 | |
| 117 | Y | D | -0.5153 | |
| 118 | W | D | -0.1736 | |
| 119 | G | D | 0.0000 | |
| 120 | Q | D | -1.0045 | |
| 121 | G | D | -0.7113 | |
| 122 | T | D | -0.9708 | |
| 123 | Q | D | -1.2851 | |
| 124 | V | D | 0.0000 | |
| 125 | T | D | -0.9838 | |
| 126 | V | D | 0.0000 | |
| 127 | S | D | -1.1604 | |
| 128 | S | D | -0.7913 | |
| 2 | V | E | -0.2376 | |
| 3 | Q | E | -0.6772 | |
| 4 | L | E | 0.0000 | |
| 5 | V | E | 0.9985 | |
| 6 | E | E | -0.0519 | |
| 7 | S | E | -0.4951 | |
| 8 | G | E | -1.3823 | |
| 9 | G | E | -1.2814 | |
| 10 | G | E | -0.9309 | |
| 11 | S | E | -0.7159 | |
| 12 | V | E | -0.6747 | |
| 13 | Q | E | -1.5275 | |
| 14 | A | E | -1.3517 | |
| 15 | G | E | 0.0000 | |
| 16 | G | E | 0.0000 | |
| 17 | S | E | -1.0120 | |
| 18 | L | E | -1.0133 | |
| 19 | R | E | -2.0494 | |
| 20 | L | E | 0.0000 | |
| 21 | S | E | -0.5709 | |
| 22 | C | E | 0.0000 | |
| 23 | T | E | -0.3163 | |
| 24 | A | E | -0.3416 | |
| 25 | S | E | -0.4047 | |
| 26 | G | E | -0.8040 | |
| 27 | G | E | -0.7717 | |
| 28 | S | E | -0.4762 | |
| 31 | S | E | -0.7896 | |
| 32 | Y | E | 0.0000 | |
| 33 | S | E | -0.7547 | |
| 34 | T | E | -0.5902 | |
| 35 | F | E | 0.0000 | |
| 36 | S | E | 0.0000 | |
| 37 | L | E | 0.0000 | |
| 38 | G | E | 0.0000 | |
| 39 | W | E | 0.0000 | |
| 40 | F | E | 0.0000 | |
| 41 | R | E | 0.0000 | |
| 42 | Q | E | -2.0190 | |
| 43 | A | E | -1.8003 | |
| 44 | P | E | -1.2357 | |
| 45 | G | E | -1.7556 | |
| 46 | Q | E | -2.8619 | |
| 47 | E | E | -3.3654 | |
| 48 | R | E | -2.7490 | |
| 49 | E | E | -2.4325 | |
| 50 | A | E | -1.1375 | |
| 51 | V | E | 0.0000 | |
| 52 | A | E | 0.0000 | |
| 53 | A | E | 0.0000 | |
| 54 | I | E | 0.0000 | |
| 55 | A | E | 0.0000 | |
| 56 | S | E | 0.0000 | |
| 57 | M | E | 0.9811 | |
| 58 | G | E | 0.1040 | |
| 59 | G | E | -0.1280 | |
| 60 | L | E | 0.0825 | |
| 61 | T | E | -0.1156 | |
| 62 | Y | E | -0.5200 | |
| 63 | Y | E | -1.0352 | |
| 64 | A | E | -1.3761 | |
| 65 | D | E | -2.4405 | |
| 66 | S | E | -1.8459 | |
| 67 | V | E | 0.0000 | |
| 68 | K | E | -2.5846 | |
| 69 | G | E | -1.7187 | |
| 70 | R | E | -1.2787 | |
| 71 | F | E | 0.0000 | |
| 72 | T | E | -0.6945 | |
| 73 | I | E | 0.0000 | |
| 74 | S | E | -0.5335 | |
| 75 | R | E | -1.2480 | |
| 76 | D | E | -1.7884 | |
| 77 | N | E | -1.9379 | |
| 78 | A | E | -1.5413 | |
| 79 | K | E | -2.3809 | |
| 80 | N | E | -1.8788 | |
| 81 | T | E | -1.1360 | |
| 82 | V | E | 0.0000 | |
| 83 | T | E | -0.7132 | |
| 84 | L | E | 0.0000 | |
| 85 | Q | E | 0.0000 | |
| 86 | M | E | 0.0000 | |
| 87 | N | E | 0.0000 | |
| 88 | N | E | -0.9391 | |
| 89 | L | E | 0.0000 | |
| 90 | K | E | -1.8364 | |
| 91 | P | E | -1.6919 | |
| 92 | E | E | -2.2291 | |
| 93 | D | E | 0.0000 | |
| 94 | T | E | -1.0949 | |
| 95 | A | E | 0.0000 | |
| 96 | I | E | -0.5671 | |
| 97 | Y | E | 0.0000 | |
| 98 | Y | E | -0.3312 | |
| 99 | C | E | 0.0000 | |
| 100 | A | E | 0.0000 | |
| 101 | A | E | 0.0000 | |
| 102 | V | E | -1.3703 | |
| 103 | R | E | -2.2056 | |
| 104 | G | E | -1.0292 | |
| 105 | Y | E | -0.0340 | |
| 106 | F | E | -0.0294 | |
| 107 | M | E | -0.3359 | |
| 108 | R | E | -1.4510 | |
| 109 | L | E | -0.5828 | |
| 110 | P | E | 0.0000 | |
| 111 | S | E | -1.2804 | |
| 112 | S | E | -1.4897 | |
| 113 | H | E | -1.8665 | |
| 114 | N | E | -2.0163 | |
| 115 | F | E | 0.0000 | |
| 116 | R | E | -2.2520 | |
| 117 | Y | E | -0.9391 | |
| 118 | W | E | -0.2608 | |
| 119 | G | E | -0.2806 | |
| 120 | Q | E | -0.9736 | |
| 121 | G | E | -0.6675 | |
| 122 | T | E | 0.0000 | |
| 123 | Q | E | -1.3248 | |
| 124 | V | E | 0.0000 | |
| 125 | T | E | -0.9521 | |
| 126 | V | E | 0.0000 | |
| 127 | S | E | -1.0932 | |
| 128 | S | E | -0.7325 | |
| 2 | V | F | 0.5620 | |
| 3 | Q | F | -0.2257 | |
| 4 | L | F | 0.0000 | |
| 5 | V | F | 1.0826 | |
| 6 | E | F | 0.1620 | |
| 7 | S | F | -0.4195 | |
| 8 | G | F | -1.3640 | |
| 9 | G | F | -1.2668 | |
| 10 | G | F | -0.9137 | |
| 11 | S | F | -0.6020 | |
| 12 | V | F | -0.4435 | |
| 13 | Q | F | -1.0715 | |
| 14 | A | F | -1.1598 | |
| 15 | G | F | 0.0000 | |
| 16 | G | F | -0.6157 | |
| 17 | S | F | -0.9466 | |
| 18 | L | F | -1.0388 | |
| 19 | R | F | -2.0768 | |
| 20 | L | F | 0.0000 | |
| 21 | S | F | -0.5494 | |
| 22 | C | F | 0.0000 | |
| 23 | T | F | -0.2946 | |
| 24 | A | F | -0.1313 | |
| 25 | S | F | -0.3651 | |
| 26 | G | F | -0.5749 | |
| 27 | G | F | -0.5464 | |
| 28 | S | F | -0.3799 | |
| 31 | S | F | -0.7534 | |
| 32 | Y | F | 0.0000 | |
| 33 | S | F | -0.7933 | |
| 34 | T | F | -0.5335 | |
| 35 | F | F | -0.6321 | |
| 36 | S | F | 0.0000 | |
| 37 | L | F | 0.0000 | |
| 38 | G | F | 0.0000 | |
| 39 | W | F | 0.0000 | |
| 40 | F | F | 0.0000 | |
| 41 | R | F | 0.0000 | |
| 42 | Q | F | -1.9518 | |
| 43 | A | F | -1.7757 | |
| 44 | P | F | -1.2437 | |
| 45 | G | F | -1.7651 | |
| 46 | Q | F | -2.8146 | |
| 47 | E | F | -3.2917 | |
| 48 | R | F | -2.6136 | |
| 49 | E | F | -2.1263 | |
| 50 | A | F | -0.9575 | |
| 51 | V | F | 0.0000 | |
| 52 | A | F | 0.0000 | |
| 53 | A | F | 0.0000 | |
| 54 | I | F | 0.0000 | |
| 55 | A | F | 0.0000 | |
| 56 | S | F | 0.0000 | |
| 57 | M | F | 0.5071 | |
| 58 | G | F | -0.3174 | |
| 59 | G | F | 0.0217 | |
| 60 | L | F | -0.1659 | |
| 61 | T | F | -0.1025 | |
| 62 | Y | F | -0.4921 | |
| 63 | Y | F | -1.0229 | |
| 64 | A | F | -1.4779 | |
| 65 | D | F | -2.4486 | |
| 66 | S | F | -1.8410 | |
| 67 | V | F | 0.0000 | |
| 68 | K | F | -2.5859 | |
| 69 | G | F | -1.7051 | |
| 70 | R | F | -1.2527 | |
| 71 | F | F | 0.0000 | |
| 72 | T | F | -0.7014 | |
| 73 | I | F | 0.0000 | |
| 74 | S | F | -0.5116 | |
| 75 | R | F | -1.2636 | |
| 76 | D | F | -1.8688 | |
| 77 | N | F | -2.0122 | |
| 78 | A | F | -1.6051 | |
| 79 | K | F | -2.4316 | |
| 80 | N | F | -1.9075 | |
| 81 | T | F | -1.1616 | |
| 82 | V | F | 0.0000 | |
| 83 | T | F | -0.7287 | |
| 84 | L | F | 0.0000 | |
| 85 | Q | F | 0.0000 | |
| 86 | M | F | 0.0000 | |
| 87 | N | F | 0.0000 | |
| 88 | N | F | -0.8926 | |
| 89 | L | F | 0.0000 | |
| 90 | K | F | -1.9320 | |
| 91 | P | F | -1.7209 | |
| 92 | E | F | -2.2998 | |
| 93 | D | F | 0.0000 | |
| 94 | T | F | -1.1351 | |
| 95 | A | F | 0.0000 | |
| 96 | I | F | -0.6541 | |
| 97 | Y | F | 0.0000 | |
| 98 | Y | F | -0.3040 | |
| 99 | C | F | 0.0000 | |
| 100 | A | F | 0.0000 | |
| 101 | A | F | 0.0000 | |
| 102 | V | F | -1.3520 | |
| 103 | R | F | -2.0416 | |
| 104 | G | F | -0.8351 | |
| 105 | Y | F | -0.1640 | |
| 106 | F | F | -0.1104 | |
| 107 | M | F | -0.4019 | |
| 108 | R | F | -1.4501 | |
| 109 | L | F | -0.4734 | |
| 110 | P | F | 0.0000 | |
| 111 | S | F | -1.2540 | |
| 112 | S | F | -1.4493 | |
| 113 | H | F | -1.8659 | |
| 114 | N | F | -1.9411 | |
| 115 | F | F | 0.0000 | |
| 116 | R | F | -2.0074 | |
| 117 | Y | F | -0.5294 | |
| 118 | W | F | -0.0459 | |
| 119 | G | F | -0.1971 | |
| 120 | Q | F | -0.9591 | |
| 121 | G | F | -0.6702 | |
| 122 | T | F | 0.0000 | |
| 123 | Q | F | -1.3286 | |
| 124 | V | F | 0.0000 | |
| 125 | T | F | -0.9045 | |
| 126 | V | F | 0.0000 | |
| 127 | S | F | -0.9623 | |
| 128 | S | F | -0.6419 | |
| 2 | V | G | 0.1742 | |
| 3 | Q | G | -0.5401 | |
| 4 | L | G | 0.0000 | |
| 5 | V | G | 1.1222 | |
| 6 | E | G | 0.2115 | |
| 7 | S | G | -0.2676 | |
| 8 | G | G | -1.0055 | |
| 9 | G | G | -0.9783 | |
| 10 | G | G | -0.8151 | |
| 11 | S | G | -0.6994 | |
| 12 | V | G | -0.6010 | |
| 13 | Q | G | -1.3788 | |
| 14 | A | G | -1.2861 | |
| 15 | G | G | 0.0000 | |
| 16 | G | G | 0.0000 | |
| 17 | S | G | -0.7151 | |
| 18 | L | G | -0.5558 | |
| 19 | R | G | -0.9817 | |
| 20 | L | G | 0.0000 | |
| 21 | S | G | -0.2864 | |
| 22 | C | G | 0.0000 | |
| 23 | T | G | -0.3754 | |
| 24 | A | G | -0.3972 | |
| 25 | S | G | -0.2769 | |
| 26 | G | G | -0.7137 | |
| 27 | G | G | -0.6972 | |
| 28 | S | G | -0.4454 | |
| 31 | S | G | -0.7500 | |
| 32 | Y | G | 0.0000 | |
| 33 | S | G | -0.6323 | |
| 34 | T | G | -0.3797 | |
| 35 | F | G | -0.4968 | |
| 36 | S | G | 0.0000 | |
| 37 | L | G | 0.0000 | |
| 38 | G | G | 0.0000 | |
| 39 | W | G | 0.0000 | |
| 40 | F | G | 0.0000 | |
| 41 | R | G | 0.0000 | |
| 42 | Q | G | -2.0291 | |
| 43 | A | G | -1.8199 | |
| 44 | P | G | -1.2574 | |
| 45 | G | G | -1.7572 | |
| 46 | Q | G | -2.8562 | |
| 47 | E | G | -3.3392 | |
| 48 | R | G | -2.7206 | |
| 49 | E | G | -2.4069 | |
| 50 | A | G | -0.9250 | |
| 51 | V | G | 0.0000 | |
| 52 | A | G | 0.0000 | |
| 53 | A | G | 0.0000 | |
| 54 | I | G | 0.0000 | |
| 55 | A | G | 0.0000 | |
| 56 | S | G | 0.0000 | |
| 57 | M | G | 0.9087 | |
| 58 | G | G | -0.0806 | |
| 59 | G | G | -0.0174 | |
| 60 | L | G | 0.0052 | |
| 61 | T | G | -0.0147 | |
| 62 | Y | G | -0.3360 | |
| 63 | Y | G | -0.9342 | |
| 64 | A | G | -1.3883 | |
| 65 | D | G | -2.4301 | |
| 66 | S | G | -1.8378 | |
| 67 | V | G | 0.0000 | |
| 68 | K | G | -2.5580 | |
| 69 | G | G | -1.6971 | |
| 70 | R | G | -1.2325 | |
| 71 | F | G | 0.0000 | |
| 72 | T | G | -0.5848 | |
| 73 | I | G | 0.0000 | |
| 74 | S | G | -0.5269 | |
| 75 | R | G | -1.2456 | |
| 76 | D | G | -1.8562 | |
| 77 | N | G | -2.0186 | |
| 78 | A | G | -1.6134 | |
| 79 | K | G | -2.4068 | |
| 80 | N | G | -1.8769 | |
| 81 | T | G | -1.1403 | |
| 82 | V | G | 0.0000 | |
| 83 | T | G | -0.5159 | |
| 84 | L | G | 0.0000 | |
| 85 | Q | G | -0.5102 | |
| 86 | M | G | 0.0000 | |
| 87 | N | G | 0.0000 | |
| 88 | N | G | -0.8494 | |
| 89 | L | G | 0.0000 | |
| 90 | K | G | -1.7406 | |
| 91 | P | G | -1.6624 | |
| 92 | E | G | -2.2169 | |
| 93 | D | G | 0.0000 | |
| 94 | T | G | -1.0926 | |
| 95 | A | G | 0.0000 | |
| 96 | I | G | -0.6562 | |
| 97 | Y | G | 0.0000 | |
| 98 | Y | G | -0.3305 | |
| 99 | C | G | 0.0000 | |
| 100 | A | G | 0.0000 | |
| 101 | A | G | 0.0000 | |
| 102 | V | G | -1.4014 | |
| 103 | R | G | -2.0529 | |
| 104 | G | G | -0.6607 | |
| 105 | Y | G | 0.0814 | |
| 106 | F | G | -0.1188 | |
| 107 | M | G | -0.3825 | |
| 108 | R | G | -1.3659 | |
| 109 | L | G | -0.5101 | |
| 110 | P | G | 0.0000 | |
| 111 | S | G | -1.3081 | |
| 112 | S | G | -1.5053 | |
| 113 | H | G | -1.8713 | |
| 114 | N | G | -2.0181 | |
| 115 | F | G | 0.0000 | |
| 116 | R | G | -2.3190 | |
| 117 | Y | G | -0.8984 | |
| 118 | W | G | -0.2229 | |
| 119 | G | G | -0.2606 | |
| 120 | Q | G | -0.9713 | |
| 121 | G | G | -0.6472 | |
| 122 | T | G | -0.7940 | |
| 123 | Q | G | -1.3169 | |
| 124 | V | G | 0.0000 | |
| 125 | T | G | -0.9560 | |
| 126 | V | G | 0.0000 | |
| 127 | S | G | -1.0724 | |
| 128 | S | G | -0.6964 | |
| 2 | V | H | 0.2695 | |
| 3 | Q | H | -0.4094 | |
| 4 | L | H | 0.0000 | |
| 5 | V | H | 1.0619 | |
| 6 | E | H | 0.0005 | |
| 7 | S | H | -0.5648 | |
| 8 | G | H | -1.5333 | |
| 9 | G | H | -1.3905 | |
| 10 | G | H | -1.0225 | |
| 11 | S | H | -0.7412 | |
| 12 | V | H | -0.7170 | |
| 13 | Q | H | -1.5236 | |
| 14 | A | H | -1.3555 | |
| 15 | G | H | 0.0000 | |
| 16 | G | H | 0.0000 | |
| 17 | S | H | -1.0656 | |
| 18 | L | H | 0.0000 | |
| 19 | R | H | -2.2985 | |
| 20 | L | H | 0.0000 | |
| 21 | S | H | -0.6621 | |
| 22 | C | H | 0.0000 | |
| 23 | T | H | -0.3411 | |
| 24 | A | H | -0.2706 | |
| 25 | S | H | -0.3270 | |
| 26 | G | H | -0.6608 | |
| 27 | G | H | -0.6236 | |
| 28 | S | H | -0.4166 | |
| 31 | S | H | -0.7314 | |
| 32 | Y | H | 0.0000 | |
| 33 | S | H | -0.6130 | |
| 34 | T | H | -0.3955 | |
| 35 | F | H | -0.4774 | |
| 36 | S | H | 0.0000 | |
| 37 | L | H | 0.0000 | |
| 38 | G | H | 0.0000 | |
| 39 | W | H | 0.0000 | |
| 40 | F | H | 0.0000 | |
| 41 | R | H | 0.0000 | |
| 42 | Q | H | -1.9278 | |
| 43 | A | H | -1.7517 | |
| 44 | P | H | -1.2331 | |
| 45 | G | H | -1.7490 | |
| 46 | Q | H | -2.8345 | |
| 47 | E | H | -3.3361 | |
| 48 | R | H | -2.7082 | |
| 49 | E | H | -2.3711 | |
| 50 | A | H | -0.9130 | |
| 51 | V | H | 0.0000 | |
| 52 | A | H | 0.0000 | |
| 53 | A | H | 0.0000 | |
| 54 | I | H | 0.0000 | |
| 55 | A | H | 0.0000 | |
| 56 | S | H | 0.0000 | |
| 57 | M | H | 0.9305 | |
| 58 | G | H | 0.3021 | |
| 59 | G | H | 0.1494 | |
| 60 | L | H | -0.0568 | |
| 61 | T | H | -0.0488 | |
| 62 | Y | H | -0.4883 | |
| 63 | Y | H | -1.0349 | |
| 64 | A | H | -1.4007 | |
| 65 | D | H | -2.4523 | |
| 66 | S | H | -1.8417 | |
| 67 | V | H | 0.0000 | |
| 68 | K | H | -2.5829 | |
| 69 | G | H | -1.6968 | |
| 70 | R | H | -1.2373 | |
| 71 | F | H | 0.0000 | |
| 72 | T | H | -0.7258 | |
| 73 | I | H | 0.0000 | |
| 74 | S | H | -0.5179 | |
| 75 | R | H | -1.2250 | |
| 76 | D | H | -1.8058 | |
| 77 | N | H | -2.0207 | |
| 78 | A | H | -1.6217 | |
| 79 | K | H | -2.4079 | |
| 80 | N | H | -1.9236 | |
| 81 | T | H | -1.1736 | |
| 82 | V | H | 0.0000 | |
| 83 | T | H | -0.7582 | |
| 84 | L | H | 0.0000 | |
| 85 | Q | H | -1.0106 | |
| 86 | M | H | 0.0000 | |
| 87 | N | H | 0.0000 | |
| 88 | N | H | -0.9018 | |
| 89 | L | H | 0.0000 | |
| 90 | K | H | -1.9023 | |
| 91 | P | H | -1.7461 | |
| 92 | E | H | -2.2717 | |
| 93 | D | H | 0.0000 | |
| 94 | T | H | -1.1029 | |
| 95 | A | H | 0.0000 | |
| 96 | I | H | -0.6070 | |
| 97 | Y | H | 0.0000 | |
| 98 | Y | H | -0.3422 | |
| 99 | C | H | 0.0000 | |
| 100 | A | H | 0.0000 | |
| 101 | A | H | 0.0000 | |
| 102 | V | H | -1.4506 | |
| 103 | R | H | -2.0659 | |
| 104 | G | H | -0.7051 | |
| 105 | Y | H | 0.0046 | |
| 106 | F | H | -0.1363 | |
| 107 | M | H | -0.3477 | |
| 108 | R | H | -1.4249 | |
| 109 | L | H | -0.5943 | |
| 110 | P | H | 0.0000 | |
| 111 | S | H | -1.2956 | |
| 112 | S | H | -1.5371 | |
| 113 | H | H | -1.9241 | |
| 114 | N | H | -2.1432 | |
| 115 | F | H | 0.0000 | |
| 116 | R | H | -2.3697 | |
| 117 | Y | H | -0.9112 | |
| 118 | W | H | -0.2487 | |
| 119 | G | H | 0.0000 | |
| 120 | Q | H | -0.9159 | |
| 121 | G | H | -0.6556 | |
| 122 | T | H | 0.0000 | |
| 123 | Q | H | -1.3209 | |
| 124 | V | H | 0.0000 | |
| 125 | T | H | -0.9688 | |
| 126 | V | H | 0.0000 | |
| 127 | S | H | -1.0868 | |
| 128 | S | H | -0.7181 |
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