Chain sequence(s) |
A: QGELVQSGSEVKKVGASVKISCAVSGFSFAAYGFSWVRQAPGQGLEWMGWYSLYSPYKKVSHKFRDRIIMTVDMNAATFFLEVTGLRSDDAGTYFCVRDGTDRQTLEYFQSRSYIMDVWGQGTAVIVS
B: QSTLTQPPSASGSPGQSVTISCTGFSGDIGGSRHVAWYQQYPGKVPKLLIFEVDRRPSGVPHRFSGSVSGGTASLTVSGLRPEDEADYYCASYVDTTTRVFGGGTKLIV input PDB |
Selected Chain(s) | A,B |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
pH calculations | No |
alphaCutter usage | No |
Dynamic mode | No |
Automated mutations | No |
Downloads | Download all the data |
Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00) [WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow to prevent this behavior) (00:00:00) [INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00) [INFO] runJob: Creating pdb object from: input.pdb (00:00:00) [INFO] FoldX: Starting FoldX energy minimization (00:00:01) [INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:02:12) [INFO] Main: Simulation completed successfully. (00:02:13) |
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
residue index | residue name | chain | Aggrescan4D score | mutation |
---|---|---|---|---|
1 | Q | A | -1.7622 | |
2 | G | A | -1.8599 | |
3 | E | A | -2.0410 | |
4 | L | A | 0.0000 | |
5 | V | A | 0.6086 | |
6 | Q | A | 0.0000 | |
7 | S | A | -0.3724 | |
8 | G | A | -0.6964 | |
9 | S | A | -0.1467 | |
10 | E | A | 0.1549 | |
11 | V | A | 1.3367 | |
12 | K | A | -0.1648 | |
13 | K | A | -1.0827 | |
14 | V | A | -0.3666 | |
15 | G | A | -0.8296 | |
16 | A | A | -0.7433 | |
17 | S | A | -1.0141 | |
18 | V | A | 0.0000 | |
19 | K | A | -1.3204 | |
20 | I | A | 0.0000 | |
21 | S | A | -0.1688 | |
22 | C | A | 0.0000 | |
23 | A | A | 0.1548 | |
24 | V | A | 0.0000 | |
25 | S | A | -0.9558 | |
26 | G | A | -1.3707 | |
27 | F | A | -0.6501 | |
28 | S | A | -0.1471 | |
29 | F | A | 0.0000 | |
30 | A | A | 0.4901 | |
31 | A | A | 0.2413 | |
32 | Y | A | 0.1084 | |
33 | G | A | 0.0000 | |
34 | F | A | 0.0000 | |
35 | S | A | 0.0000 | |
36 | W | A | 0.0000 | |
37 | V | A | 0.0000 | |
38 | R | A | 0.0000 | |
39 | Q | A | -0.7447 | |
40 | A | A | -1.1300 | |
41 | P | A | -1.1719 | |
42 | G | A | -1.3257 | |
43 | Q | A | -1.7295 | |
44 | G | A | -1.3558 | |
45 | L | A | 0.0000 | |
46 | E | A | -0.8026 | |
47 | W | A | 0.0000 | |
48 | M | A | 0.0000 | |
49 | G | A | 0.0000 | |
50 | W | A | 0.0000 | |
51 | Y | A | 0.0000 | |
52 | S | A | 0.0000 | |
53 | L | A | 1.2112 | |
54 | Y | A | 1.5065 | |
55 | S | A | 0.5248 | |
56 | P | A | 0.2727 | |
57 | Y | A | 0.6276 | |
58 | K | A | -0.0457 | |
59 | K | A | -0.7602 | |
60 | V | A | -1.1626 | |
61 | S | A | -1.7914 | |
62 | H | A | -2.7781 | |
63 | K | A | -3.1332 | |
64 | F | A | 0.0000 | |
65 | R | A | -3.2269 | |
66 | D | A | -2.7943 | |
67 | R | A | -1.8797 | |
68 | I | A | 0.0000 | |
69 | I | A | 0.6085 | |
70 | M | A | 0.0000 | |
71 | T | A | 0.4478 | |
72 | V | A | 0.3535 | |
73 | D | A | -0.5429 | |
74 | M | A | 0.0115 | |
75 | N | A | -1.0464 | |
76 | A | A | -0.5339 | |
77 | A | A | -0.2695 | |
78 | T | A | 0.0000 | |
79 | F | A | 0.0000 | |
80 | F | A | 0.0803 | |
81 | L | A | 0.0000 | |
82 | E | A | -0.5748 | |
83 | V | A | 0.0000 | |
84 | T | A | -0.7907 | |
85 | G | A | -0.9701 | |
86 | L | A | 0.0000 | |
87 | R | A | -2.4901 | |
88 | S | A | -1.7554 | |
89 | D | A | -2.2163 | |
90 | D | A | 0.0000 | |
91 | A | A | -0.5334 | |
92 | G | A | -0.4141 | |
93 | T | A | -0.1411 | |
94 | Y | A | 0.0000 | |
95 | F | A | 0.0000 | |
96 | C | A | 0.0000 | |
97 | V | A | 0.0000 | |
98 | R | A | -0.4388 | |
99 | D | A | 0.0000 | |
100 | G | A | 0.0000 | |
101 | T | A | -0.6349 | |
102 | D | A | -0.9944 | |
103 | R | A | -1.9376 | |
104 | Q | A | 0.0000 | |
105 | T | A | -0.7844 | |
106 | L | A | -0.2189 | |
107 | E | A | -1.4665 | |
108 | Y | A | -0.1199 | |
109 | F | A | 0.0000 | |
110 | Q | A | -1.5716 | |
111 | S | A | -1.4414 | |
112 | R | A | -2.2761 | |
113 | S | A | -1.3134 | |
114 | Y | A | -1.0224 | |
115 | I | A | 0.0000 | |
116 | M | A | 0.0000 | |
117 | D | A | -0.9991 | |
118 | V | A | -1.0148 | |
119 | W | A | -0.5053 | |
120 | G | A | 0.0000 | |
121 | Q | A | -1.1674 | |
122 | G | A | -0.6220 | |
123 | T | A | 0.0000 | |
124 | A | A | 0.0670 | |
125 | V | A | 0.0000 | |
126 | I | A | 1.2114 | |
127 | V | A | -0.0446 | |
128 | S | A | -0.1632 | |
1 | Q | B | -1.7945 | |
2 | S | B | -0.8955 | |
3 | T | B | -0.5131 | |
4 | L | B | 0.0000 | |
5 | T | B | -0.4010 | |
6 | Q | B | 0.0000 | |
7 | P | B | -0.5467 | |
8 | P | B | -0.8582 | |
9 | S | B | -0.7678 | |
10 | A | B | -0.4745 | |
11 | S | B | -0.3127 | |
12 | G | B | -0.5834 | |
13 | S | B | -0.7395 | |
14 | P | B | -1.3653 | |
15 | G | B | -1.4956 | |
16 | Q | B | -1.8121 | |
17 | S | B | -1.2425 | |
18 | V | B | 0.0000 | |
19 | T | B | -0.2292 | |
20 | I | B | 0.0000 | |
21 | S | B | -0.1418 | |
22 | C | B | 0.0000 | |
23 | T | B | -0.3700 | |
24 | G | B | -0.4770 | |
25 | F | B | -0.2774 | |
26 | S | B | -0.6467 | |
27 | G | B | -1.6511 | |
28 | D | B | -2.3082 | |
29 | I | B | 0.0000 | |
30 | G | B | -0.9337 | |
31 | G | B | -0.8911 | |
32 | S | B | -0.9063 | |
33 | R | B | -1.1089 | |
34 | H | B | -0.3902 | |
35 | V | B | 0.0000 | |
36 | A | B | 0.0000 | |
37 | W | B | 0.0000 | |
38 | Y | B | 0.0000 | |
39 | Q | B | 0.0000 | |
40 | Q | B | 0.0000 | |
41 | Y | B | -1.1743 | |
42 | P | B | -1.0516 | |
43 | G | B | -1.2897 | |
44 | K | B | -1.9214 | |
45 | V | B | -0.8422 | |
46 | P | B | 0.0000 | |
47 | K | B | -1.1295 | |
48 | L | B | 0.0000 | |
49 | L | B | 0.0000 | |
50 | I | B | 0.0000 | |
51 | F | B | 0.0000 | |
52 | E | B | 0.0000 | |
53 | V | B | 0.0000 | |
54 | D | B | -2.0617 | |
55 | R | B | -2.2961 | |
56 | R | B | -2.2145 | |
57 | P | B | -1.3102 | |
58 | S | B | -0.8562 | |
59 | G | B | -0.9269 | |
60 | V | B | 0.0000 | |
61 | P | B | -1.0983 | |
62 | H | B | -1.5212 | |
63 | R | B | -1.0739 | |
64 | F | B | 0.0000 | |
65 | S | B | -1.2761 | |
66 | G | B | -1.0618 | |
67 | S | B | -0.6468 | |
68 | V | B | -0.4862 | |
69 | S | B | -0.5931 | |
70 | G | B | -0.8593 | |
71 | G | B | -0.9991 | |
72 | T | B | -0.5399 | |
73 | A | B | 0.0000 | |
74 | S | B | -0.3158 | |
75 | L | B | 0.0000 | |
76 | T | B | -0.3138 | |
77 | V | B | 0.0000 | |
78 | S | B | -1.1440 | |
79 | G | B | -1.3245 | |
80 | L | B | 0.0000 | |
81 | R | B | -2.1512 | |
82 | P | B | -1.6872 | |
83 | E | B | -2.3622 | |
84 | D | B | 0.0000 | |
85 | E | B | -1.7503 | |
86 | A | B | 0.0000 | |
87 | D | B | -1.3572 | |
88 | Y | B | 0.0000 | |
89 | Y | B | 0.0000 | |
90 | C | B | 0.0000 | |
91 | A | B | 0.0000 | |
92 | S | B | 0.0000 | |
93 | Y | B | 0.0000 | |
94 | V | B | 1.6652 | |
95 | D | B | 0.2635 | |
96 | T | B | -0.1758 | |
97 | T | B | -0.2181 | |
98 | T | B | 0.2837 | |
99 | R | B | 0.0000 | |
100 | V | B | 0.2763 | |
101 | F | B | 0.0000 | |
102 | G | B | 0.0000 | |
103 | G | B | -1.1961 | |
104 | G | B | -1.0652 | |
105 | T | B | 0.0000 | |
106 | K | B | -1.6346 | |
107 | L | B | 0.0000 | |
108 | I | B | -0.0372 | |
109 | V | B | -0.3959 |