Chain sequence(s) |
A: QVHLEQSGAEVKKPGSSVKVSCKAFGGNFNRYTIHWVRQAPGHGLEWMGRIIPVSGVTKYAQKFQDRVTFTADKSTTTVYMDLSSLRSEDTAVYYCATVVSGVGVGEIRWGLPPDKVPQYDAMDVWGQGTTVIVSS
B: DIQMTQSPSSLSASVGDRITITCRASQSISAYLNWYQQKPGKAPKLLIYGASNLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYSCQQTRTTPFTFGGGTKVDI 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 (00:00:00) [INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:02:20) [INFO] Main: Simulation completed successfully. (00:02:21) |
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 | -1.4625 | |
2 | V | A | 0.0000 | |
3 | H | A | -1.4174 | |
4 | L | A | 0.0000 | |
5 | E | A | -2.0412 | |
6 | Q | A | 0.0000 | |
7 | S | A | -1.1409 | |
8 | G | A | -0.9494 | |
9 | A | A | -0.0166 | |
10 | E | A | -0.1286 | |
11 | V | A | 1.0371 | |
12 | K | A | -0.8057 | |
13 | K | A | -2.0469 | |
14 | P | A | -2.1000 | |
15 | G | A | -1.5250 | |
16 | S | A | -1.2401 | |
17 | S | A | -1.3033 | |
18 | V | A | 0.0000 | |
19 | K | A | -1.9362 | |
20 | V | A | 0.0000 | |
21 | S | A | -0.8433 | |
22 | C | A | 0.0000 | |
23 | K | A | -1.0521 | |
24 | A | A | 0.0000 | |
25 | F | A | -0.5397 | |
26 | G | A | -1.0865 | |
27 | G | A | -1.6232 | |
28 | N | A | -1.9820 | |
29 | F | A | 0.0000 | |
30 | N | A | -1.6670 | |
31 | R | A | -2.0242 | |
32 | Y | A | 0.0000 | |
33 | T | A | 0.0000 | |
34 | I | A | 0.0000 | |
35 | H | A | 0.0000 | |
36 | W | A | 0.0000 | |
37 | V | A | 0.0000 | |
38 | R | A | 0.0000 | |
39 | Q | A | -0.5784 | |
40 | A | A | -0.8848 | |
41 | P | A | -0.9658 | |
42 | G | A | -1.1342 | |
43 | H | A | -1.5718 | |
44 | G | A | -1.0643 | |
45 | L | A | 0.0000 | |
46 | E | A | -0.6075 | |
47 | W | A | 0.0000 | |
48 | M | A | 0.0000 | |
49 | G | A | 0.0000 | |
50 | R | A | -0.2141 | |
51 | I | A | 0.0000 | |
52 | I | A | 0.0000 | |
53 | P | A | 0.0000 | |
54 | V | A | -0.0448 | |
55 | S | A | 0.4674 | |
56 | G | A | 0.3420 | |
57 | V | A | 1.2917 | |
58 | T | A | 0.2309 | |
59 | K | A | -0.8365 | |
60 | Y | A | -1.5052 | |
61 | A | A | 0.0000 | |
62 | Q | A | -3.0488 | |
63 | K | A | -2.9352 | |
64 | F | A | 0.0000 | |
65 | Q | A | -3.1387 | |
66 | D | A | -2.9960 | |
67 | R | A | -1.9799 | |
68 | V | A | 0.0000 | |
69 | T | A | -0.9759 | |
70 | F | A | 0.0000 | |
71 | T | A | -0.2128 | |
72 | A | A | -0.8029 | |
73 | D | A | -1.5329 | |
74 | K | A | -1.8953 | |
75 | S | A | -1.1550 | |
76 | T | A | -0.8333 | |
77 | T | A | -1.1567 | |
78 | T | A | 0.0000 | |
79 | V | A | 0.0000 | |
80 | Y | A | -0.4625 | |
81 | M | A | 0.0000 | |
82 | D | A | -1.1169 | |
83 | L | A | 0.0000 | |
84 | S | A | -1.1765 | |
85 | S | A | -1.2237 | |
86 | L | A | 0.0000 | |
87 | R | A | -2.4552 | |
88 | S | A | -2.0281 | |
89 | E | A | -2.2971 | |
90 | D | A | 0.0000 | |
91 | T | A | -0.5452 | |
92 | A | A | 0.0000 | |
93 | V | A | 0.2266 | |
94 | Y | A | 0.0000 | |
95 | Y | A | 0.0000 | |
96 | C | A | 0.0000 | |
97 | A | A | 0.0000 | |
98 | T | A | 0.0000 | |
99 | V | A | 0.0000 | |
100 | V | A | 0.3321 | |
101 | S | A | 0.2047 | |
102 | G | A | 0.1776 | |
103 | V | A | 0.5844 | |
104 | G | A | -0.1153 | |
105 | V | A | 0.1108 | |
106 | G | A | -0.3646 | |
107 | E | A | -0.7304 | |
108 | I | A | 0.0000 | |
109 | R | A | -0.3849 | |
110 | W | A | 0.4470 | |
111 | G | A | 0.4685 | |
112 | L | A | -0.1112 | |
113 | P | A | -0.9209 | |
114 | P | A | -1.7195 | |
115 | D | A | -2.7099 | |
116 | K | A | -2.5162 | |
117 | V | A | -1.2155 | |
118 | P | A | -0.8306 | |
119 | Q | A | 0.0000 | |
120 | Y | A | 0.0480 | |
121 | D | A | 0.0000 | |
122 | A | A | 0.0000 | |
123 | M | A | 0.0000 | |
124 | D | A | -0.5161 | |
125 | V | A | -0.4460 | |
126 | W | A | -0.9495 | |
127 | G | A | 0.0000 | |
128 | Q | A | -2.0314 | |
129 | G | A | -1.1440 | |
130 | T | A | 0.0000 | |
131 | T | A | 0.1601 | |
132 | V | A | 0.0000 | |
133 | I | A | 0.3135 | |
134 | V | A | 0.0000 | |
135 | S | A | -0.8856 | |
136 | S | A | -0.8995 | |
1 | D | B | -2.4300 | |
2 | I | B | 0.0000 | |
3 | Q | B | -2.2837 | |
4 | M | B | 0.0000 | |
5 | T | B | -1.4448 | |
6 | Q | B | -1.0350 | |
7 | S | B | -0.7204 | |
8 | P | B | -0.6672 | |
9 | S | B | -0.9255 | |
10 | S | B | -1.2296 | |
11 | L | B | -0.5709 | |
12 | S | B | -0.3496 | |
13 | A | B | -0.0217 | |
14 | S | B | 0.1424 | |
15 | V | B | 0.7466 | |
16 | G | B | -0.7059 | |
17 | D | B | -1.5674 | |
18 | R | B | -2.2532 | |
19 | I | B | 0.0000 | |
20 | T | B | -0.6267 | |
21 | I | B | 0.0000 | |
22 | T | B | -1.0300 | |
23 | C | B | 0.0000 | |
24 | R | B | -3.1134 | |
25 | A | B | 0.0000 | |
26 | S | B | -2.1156 | |
27 | Q | B | -2.3027 | |
28 | S | B | -1.6378 | |
29 | I | B | 0.0000 | |
30 | S | B | -0.9706 | |
31 | A | B | -0.6625 | |
32 | Y | B | 0.0000 | |
33 | L | B | 0.0000 | |
34 | N | B | 0.0000 | |
35 | W | B | 0.0000 | |
36 | Y | B | 0.0000 | |
37 | Q | B | 0.0000 | |
38 | Q | B | -1.3961 | |
39 | K | B | -1.6545 | |
40 | P | B | -1.1315 | |
41 | G | B | -1.6451 | |
42 | K | B | -2.6243 | |
43 | A | B | -1.6792 | |
44 | P | B | 0.0000 | |
45 | K | B | -1.8885 | |
46 | L | B | 0.0000 | |
47 | L | B | 0.0000 | |
48 | I | B | 0.0000 | |
49 | Y | B | 0.1586 | |
50 | G | B | 0.0000 | |
51 | A | B | 0.0000 | |
52 | S | B | -0.4685 | |
53 | N | B | -0.2641 | |
54 | L | B | 0.1368 | |
55 | Q | B | -0.4009 | |
56 | S | B | -0.4545 | |
57 | G | B | -0.4743 | |
58 | V | B | -0.3391 | |
59 | P | B | -0.3159 | |
60 | S | B | -0.4084 | |
61 | R | B | -0.7076 | |
62 | F | B | 0.0000 | |
63 | S | B | -0.3751 | |
64 | G | B | -0.3625 | |
65 | S | B | -0.8720 | |
66 | G | B | -1.3459 | |
67 | S | B | -1.2601 | |
68 | G | B | -1.3813 | |
69 | T | B | -2.1119 | |
70 | D | B | -2.9217 | |
71 | F | B | 0.0000 | |
72 | T | B | -0.9539 | |
73 | L | B | 0.0000 | |
74 | T | B | -0.6101 | |
75 | I | B | 0.0000 | |
76 | S | B | -1.3325 | |
77 | S | B | -1.1012 | |
78 | L | B | 0.0000 | |
79 | Q | B | -0.4468 | |
80 | P | B | -0.5286 | |
81 | E | B | -1.4307 | |
82 | D | B | 0.0000 | |
83 | F | B | -0.1565 | |
84 | A | B | 0.0000 | |
85 | T | B | -1.0694 | |
86 | Y | B | 0.0000 | |
87 | S | B | 0.0000 | |
88 | C | B | 0.0000 | |
89 | Q | B | 0.0000 | |
90 | Q | B | 0.0000 | |
91 | T | B | 0.0000 | |
92 | R | B | -1.7549 | |
93 | T | B | -1.2467 | |
94 | T | B | -0.9669 | |
95 | P | B | -1.2203 | |
96 | F | B | 0.0000 | |
97 | T | B | -0.8512 | |
98 | F | B | -0.2976 | |
99 | G | B | 0.0000 | |
100 | G | B | -1.1748 | |
101 | G | B | -1.0417 | |
102 | T | B | 0.0000 | |
103 | K | B | -1.9388 | |
104 | V | B | 0.0000 | |
105 | D | B | -0.7079 | |
106 | I | B | 0.9848 |