Chain sequence(s) |
A: QVQLVESGGGVVQPGKNLILSCEASGLSFSDYGMHWVRQAPGKGLEWVARVSFHGGNIYYADSVKGRFTISRDNSKNTLYLQLNSLRFEDTAVYFCAKEQDCSSPRCPKRRGLKVLTYYFGLDVWGQGTTVTVSS
B: DIQMTQSPSSLSASVGDRVTITCRASQAIRNDLGWYQQKPGKAPKRLIYAASSLQSGVPSRFSGSGSGTEFTLTISSLQPEDFATYYCLQHNSYPYTFGQGTKLEIK 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 (00:02:09) [INFO] Main: Simulation completed successfully. (00:02:10) |
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 | -1.3553 | |
2 | V | A | -0.7746 | |
3 | Q | A | -1.5721 | |
4 | L | A | 0.0000 | |
5 | V | A | -0.4770 | |
6 | E | A | 0.0000 | |
7 | S | A | -0.3804 | |
8 | G | A | 0.0065 | |
9 | G | A | 0.2486 | |
10 | G | A | 0.5001 | |
11 | V | A | 1.3787 | |
12 | V | A | 0.0000 | |
13 | Q | A | -1.3678 | |
14 | P | A | -1.4891 | |
15 | G | A | -1.8659 | |
16 | K | A | -2.6601 | |
17 | N | A | -2.0497 | |
18 | L | A | 0.0627 | |
19 | I | A | 1.3414 | |
20 | L | A | 0.0000 | |
21 | S | A | -0.0521 | |
22 | C | A | 0.0000 | |
23 | E | A | -2.2294 | |
24 | A | A | 0.0000 | |
25 | S | A | -1.1533 | |
26 | G | A | -0.9184 | |
27 | L | A | -0.3946 | |
28 | S | A | -0.1579 | |
29 | F | A | 0.0000 | |
30 | S | A | -0.6672 | |
31 | D | A | 0.0000 | |
32 | Y | A | 0.2029 | |
33 | G | A | 0.0000 | |
34 | M | 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 | -0.8151 | |
40 | A | A | -1.2178 | |
41 | P | A | -1.0000 | |
42 | G | A | -1.4683 | |
43 | K | A | -2.3586 | |
44 | G | A | -1.5874 | |
45 | L | A | 0.0000 | |
46 | E | A | -1.0712 | |
47 | W | A | 0.0000 | |
48 | V | A | 0.0000 | |
49 | A | A | 0.0000 | |
50 | R | A | 0.0000 | |
51 | V | A | 0.0000 | |
52 | S | A | 0.0000 | |
53 | F | A | -0.3700 | |
54 | H | A | -1.2733 | |
55 | G | A | -0.9304 | |
56 | G | A | -0.7183 | |
57 | N | A | -0.9172 | |
58 | I | A | 0.4410 | |
59 | Y | A | 0.3510 | |
60 | Y | A | -0.3886 | |
61 | A | A | 0.0000 | |
62 | D | A | -2.5821 | |
63 | S | A | -1.7493 | |
64 | V | A | 0.0000 | |
65 | K | A | -2.5050 | |
66 | G | A | -1.7076 | |
67 | R | A | -1.5259 | |
68 | F | A | 0.0000 | |
69 | T | A | -0.2251 | |
70 | I | A | 0.0000 | |
71 | S | A | -0.3720 | |
72 | R | A | -1.0410 | |
73 | D | A | -1.8705 | |
74 | N | A | -1.7872 | |
75 | S | A | -1.6057 | |
76 | K | A | -2.7038 | |
77 | N | A | -2.2759 | |
78 | T | A | 0.0000 | |
79 | L | A | 0.0000 | |
80 | Y | A | 0.1753 | |
81 | L | A | 0.0000 | |
82 | Q | A | 0.0244 | |
83 | L | A | 0.0000 | |
84 | N | A | -1.4362 | |
85 | S | A | -1.7708 | |
86 | L | A | 0.0000 | |
87 | R | A | -1.5165 | |
88 | F | A | 0.2195 | |
89 | E | A | -1.2597 | |
90 | D | A | 0.0000 | |
91 | T | A | -0.0269 | |
92 | A | A | 0.0000 | |
93 | V | A | 0.1224 | |
94 | Y | A | 0.0000 | |
95 | F | A | 0.0000 | |
96 | C | A | 0.0000 | |
97 | A | A | 0.0000 | |
98 | K | A | 0.0000 | |
99 | E | A | 0.0000 | |
100 | Q | A | -0.0744 | |
101 | D | A | 0.0577 | |
102 | C | A | -0.2431 | |
103 | S | A | -0.5016 | |
104 | S | A | 0.0000 | |
105 | P | A | -1.4032 | |
106 | R | A | -2.2421 | |
107 | C | A | 0.0000 | |
108 | P | A | -2.0102 | |
109 | K | A | -3.3559 | |
110 | R | A | -3.5599 | |
111 | R | A | -2.6052 | |
112 | G | A | -0.4518 | |
113 | L | A | 0.7304 | |
114 | K | A | -0.3156 | |
115 | V | A | 1.1970 | |
116 | L | A | 0.2818 | |
117 | T | A | -0.2082 | |
118 | Y | A | 0.1902 | |
119 | Y | A | 0.5108 | |
120 | F | A | 0.5890 | |
121 | G | A | 0.0000 | |
122 | L | A | 0.0000 | |
123 | D | A | -0.3897 | |
124 | V | A | -0.3298 | |
125 | W | A | 0.0000 | |
126 | G | A | 0.0000 | |
127 | Q | A | -1.5825 | |
128 | G | A | -0.7563 | |
129 | T | A | -0.2728 | |
130 | T | A | 0.1508 | |
131 | V | A | 0.0000 | |
132 | T | A | 0.3947 | |
133 | V | A | 0.0000 | |
134 | S | A | 0.1134 | |
135 | S | A | -0.1310 | |
1 | D | B | -2.4072 | |
2 | I | B | 0.0000 | |
3 | Q | B | -2.3286 | |
4 | M | B | 0.0000 | |
5 | T | B | -1.3991 | |
6 | Q | B | 0.0000 | |
7 | S | B | -0.7290 | |
8 | P | B | -0.5805 | |
9 | S | B | -0.8088 | |
10 | S | B | -0.8105 | |
11 | L | B | -0.3708 | |
12 | S | B | -0.7891 | |
13 | A | B | -0.7234 | |
14 | S | B | -0.5708 | |
15 | V | B | 0.2500 | |
16 | G | B | -0.7016 | |
17 | D | B | -1.5269 | |
18 | R | B | -2.2531 | |
19 | V | B | 0.0000 | |
20 | T | B | -0.6176 | |
21 | I | B | 0.0000 | |
22 | T | B | -0.7835 | |
23 | C | B | 0.0000 | |
24 | R | B | -2.6564 | |
25 | A | B | 0.0000 | |
26 | S | B | -1.9541 | |
27 | Q | B | -2.3180 | |
28 | A | B | -1.5917 | |
29 | I | B | 0.0000 | |
30 | R | B | -2.2573 | |
31 | N | B | -1.4789 | |
32 | D | B | 0.0000 | |
33 | L | B | 0.0000 | |
34 | G | B | 0.0000 | |
35 | W | B | 0.0000 | |
36 | Y | B | 0.0000 | |
37 | Q | B | 0.0000 | |
38 | Q | B | 0.0000 | |
39 | K | B | -1.7965 | |
40 | P | B | -1.2378 | |
41 | G | B | -1.6871 | |
42 | K | B | -2.6876 | |
43 | A | B | -1.7577 | |
44 | P | B | 0.0000 | |
45 | K | B | -1.7111 | |
46 | R | B | 0.0000 | |
47 | L | B | 0.0000 | |
48 | I | B | 0.0000 | |
49 | Y | B | 0.2551 | |
50 | A | B | -0.1319 | |
51 | A | B | 0.0000 | |
52 | S | B | -0.3332 | |
53 | S | B | 0.0278 | |
54 | L | B | 0.2143 | |
55 | Q | B | -0.3615 | |
56 | S | B | -0.4337 | |
57 | G | B | -0.5873 | |
58 | V | B | 0.0000 | |
59 | P | B | -0.4185 | |
60 | S | B | -0.4717 | |
61 | R | B | -0.7462 | |
62 | F | B | 0.0000 | |
63 | S | B | -0.3543 | |
64 | G | B | -0.2689 | |
65 | S | B | -0.7004 | |
66 | G | B | -1.2652 | |
67 | S | B | -1.5094 | |
68 | G | B | -1.6684 | |
69 | T | B | -1.8239 | |
70 | E | B | -2.0411 | |
71 | F | B | 0.0000 | |
72 | T | B | -0.7073 | |
73 | L | B | 0.0000 | |
74 | T | B | -0.6166 | |
75 | I | B | 0.0000 | |
76 | S | B | -1.3184 | |
77 | S | B | -1.1018 | |
78 | L | B | 0.0000 | |
79 | Q | B | -0.6897 | |
80 | P | B | -0.9874 | |
81 | E | B | -1.6845 | |
82 | D | B | 0.0000 | |
83 | F | B | -0.6103 | |
84 | A | B | 0.0000 | |
85 | T | B | -0.7879 | |
86 | Y | B | 0.0000 | |
87 | Y | B | 0.0000 | |
88 | C | B | 0.0000 | |
89 | L | B | 0.0000 | |
90 | Q | B | 0.0000 | |
91 | H | B | 0.0000 | |
92 | N | B | -1.0622 | |
93 | S | B | -0.5443 | |
94 | Y | B | 0.0129 | |
95 | P | B | -0.4308 | |
96 | Y | B | 0.0000 | |
97 | T | B | -0.7911 | |
98 | F | B | -0.4715 | |
99 | G | B | 0.0000 | |
100 | Q | B | -1.6921 | |
101 | G | B | 0.0000 | |
102 | T | B | 0.0000 | |
103 | K | B | -1.3414 | |
104 | L | B | 0.0000 | |
105 | E | B | -1.0758 | |
106 | I | B | -0.8117 | |
107 | K | B | -1.4664 |