Chain sequence(s) |
A: QVQLKQSRTELKAPGASVTVSCQASGYRFTSVDINWVRQTTGQGLEWMGSVTPITGNTVTAQIFEGRVTMTRDTATSTAYMELTSLKLDDTAVYFCATCSGGSCYLGHWGQGTQVTVSS
B: IQLTQSPSSLSASVGDSITITCRSSQNIATYVHWFQQKPGKAPQLLIHDTSSLQSGVPSRFSGGGYGTEFTLTIVNFQPDDFATYFCQHSYETPFSFGPGTTVDVK 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 (00:01:10) [INFO] Main: Simulation completed successfully. (00:01:11) |
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 | -1.4277 | |
2 | V | A | -1.1533 | |
3 | Q | A | -2.1236 | |
4 | L | A | 0.0000 | |
5 | K | A | -2.7612 | |
6 | Q | A | 0.0000 | |
7 | S | A | -1.7026 | |
8 | R | A | -2.4347 | |
9 | T | A | -1.0122 | |
10 | E | A | -0.4358 | |
11 | L | A | 0.9153 | |
12 | K | A | -0.1382 | |
13 | A | A | -0.3089 | |
14 | P | A | -1.0337 | |
15 | G | A | -0.9261 | |
16 | A | A | -0.7390 | |
17 | S | A | -0.8050 | |
18 | V | A | 0.0000 | |
19 | T | A | -0.4560 | |
20 | V | A | 0.0000 | |
21 | S | A | -0.8360 | |
22 | C | A | 0.0000 | |
23 | Q | A | -1.7604 | |
24 | A | A | 0.0000 | |
25 | S | A | -1.4945 | |
26 | G | A | -1.1713 | |
27 | Y | A | -1.0999 | |
28 | R | A | -1.7550 | |
29 | F | A | 0.0000 | |
30 | T | A | 0.0381 | |
31 | S | A | -0.2425 | |
32 | V | A | 0.0925 | |
33 | D | A | -0.1691 | |
34 | I | A | 0.0000 | |
35 | N | A | 0.0000 | |
36 | W | A | 0.0000 | |
37 | V | A | 0.0000 | |
38 | R | A | 0.0000 | |
39 | Q | A | -0.5893 | |
40 | T | A | -0.8453 | |
41 | T | A | -0.7157 | |
42 | G | A | -1.3348 | |
43 | Q | A | -1.6126 | |
44 | G | A | -1.1379 | |
45 | L | A | 0.0000 | |
46 | E | A | -0.8422 | |
47 | W | A | 0.0000 | |
48 | M | A | 0.0000 | |
49 | G | A | 0.0000 | |
50 | S | A | -0.0147 | |
51 | V | A | 0.0000 | |
52 | T | A | 0.0156 | |
53 | P | A | 0.0000 | |
54 | I | A | 1.5369 | |
55 | T | A | 0.3487 | |
56 | G | A | -0.5394 | |
57 | N | A | -0.9669 | |
58 | T | A | -0.2520 | |
59 | V | A | 0.4289 | |
60 | T | A | -0.1151 | |
61 | A | A | 0.0000 | |
62 | Q | A | -0.8040 | |
63 | I | A | 0.7617 | |
64 | F | A | 0.0000 | |
65 | E | A | -1.8452 | |
66 | G | A | -1.4285 | |
67 | R | A | -1.0800 | |
68 | V | A | 0.0000 | |
69 | T | A | -0.6623 | |
70 | M | A | 0.0000 | |
71 | T | A | -0.7125 | |
72 | R | A | -0.8262 | |
73 | D | A | -0.7847 | |
74 | T | A | -0.3696 | |
75 | A | A | -0.2798 | |
76 | T | A | -0.4955 | |
77 | S | A | -0.8789 | |
78 | T | A | 0.0000 | |
79 | A | A | 0.0000 | |
80 | Y | A | -0.2546 | |
81 | M | A | 0.0000 | |
82 | E | A | -0.9891 | |
83 | L | A | 0.0000 | |
84 | T | A | -0.9000 | |
85 | S | A | -0.9523 | |
86 | L | A | 0.0000 | |
87 | K | A | -1.8581 | |
88 | L | A | -0.4043 | |
89 | D | A | -1.6419 | |
90 | D | A | 0.0000 | |
91 | T | A | -0.5213 | |
92 | A | A | 0.0000 | |
93 | V | A | -0.0346 | |
94 | Y | A | 0.0000 | |
95 | F | A | 0.0000 | |
96 | C | A | 0.0000 | |
97 | A | A | 0.0000 | |
98 | T | A | 0.0000 | |
99 | C | A | -0.1420 | |
100 | S | A | -0.3379 | |
101 | G | A | -0.6604 | |
102 | G | A | -0.7067 | |
103 | S | A | -0.3514 | |
104 | C | A | -0.2298 | |
105 | Y | A | -0.0181 | |
106 | L | A | 0.0000 | |
107 | G | A | -0.3779 | |
108 | H | A | -0.8718 | |
109 | W | A | -0.8877 | |
110 | G | A | 0.0000 | |
111 | Q | A | -2.2450 | |
112 | G | A | -1.4616 | |
113 | T | A | 0.0000 | |
114 | Q | A | -0.9796 | |
115 | V | A | 0.0000 | |
116 | T | A | -0.0337 | |
117 | V | A | 0.0000 | |
118 | S | A | -0.2339 | |
119 | S | A | -0.3526 | |
1 | I | B | -0.0526 | |
2 | Q | B | -1.1395 | |
3 | L | B | 0.0000 | |
4 | T | B | -1.1332 | |
5 | Q | B | 0.0000 | |
6 | S | B | -0.4862 | |
7 | P | B | -0.3011 | |
8 | S | B | -0.5326 | |
9 | S | B | -0.6262 | |
10 | L | B | -0.4880 | |
11 | S | B | -0.8657 | |
12 | A | B | 0.0000 | |
13 | S | B | -0.1705 | |
14 | V | B | 0.6990 | |
15 | G | B | -0.6140 | |
16 | D | B | -0.8732 | |
17 | S | B | -0.6420 | |
18 | I | B | 0.0000 | |
19 | T | B | -0.0733 | |
20 | I | B | 0.0000 | |
21 | T | B | -0.9273 | |
22 | C | B | 0.0000 | |
23 | R | B | -2.7101 | |
24 | S | B | -2.0882 | |
25 | S | B | -1.6673 | |
26 | Q | B | -2.1513 | |
27 | N | B | -1.8088 | |
28 | I | B | 0.0000 | |
29 | A | B | -0.1581 | |
30 | T | B | 0.0697 | |
31 | Y | B | 0.3758 | |
32 | V | B | 0.0000 | |
33 | H | B | 0.0000 | |
34 | W | B | 0.0000 | |
35 | F | B | 0.0000 | |
36 | Q | B | -0.7949 | |
37 | Q | B | -1.2748 | |
38 | K | B | -1.7201 | |
39 | P | B | -1.3731 | |
40 | G | B | -1.6874 | |
41 | K | B | -2.5884 | |
42 | A | B | -1.6299 | |
43 | P | B | 0.0000 | |
44 | Q | B | -1.4273 | |
45 | L | B | 0.0000 | |
46 | L | B | 0.0000 | |
47 | I | B | 0.0000 | |
48 | H | B | -0.3207 | |
49 | D | B | -0.4034 | |
50 | T | B | 0.0000 | |
51 | S | B | -0.3119 | |
52 | S | B | -0.2054 | |
53 | L | B | 0.1500 | |
54 | Q | B | -0.2648 | |
55 | S | B | -0.3633 | |
56 | G | B | -0.4922 | |
57 | V | B | -0.3001 | |
58 | P | B | -0.3413 | |
59 | S | B | -0.3055 | |
60 | R | B | -0.5318 | |
61 | F | B | 0.0000 | |
62 | S | B | -0.1939 | |
63 | G | B | -0.4203 | |
64 | G | B | -0.5587 | |
65 | G | B | -0.6429 | |
66 | Y | B | 0.1662 | |
67 | G | B | 0.0000 | |
68 | T | B | -1.9525 | |
69 | E | B | -2.5559 | |
70 | F | B | 0.0000 | |
71 | T | B | -0.7269 | |
72 | L | B | 0.0000 | |
73 | T | B | -0.1949 | |
74 | I | B | 0.0000 | |
75 | V | B | -0.3395 | |
76 | N | B | -1.2917 | |
77 | F | B | 0.0000 | |
78 | Q | B | -1.0597 | |
79 | P | B | -0.7601 | |
80 | D | B | -1.8285 | |
81 | D | B | 0.0000 | |
82 | F | B | -0.4455 | |
83 | A | B | 0.0000 | |
84 | T | B | -0.7750 | |
85 | Y | B | 0.0000 | |
86 | F | B | 0.0000 | |
87 | C | B | 0.0000 | |
88 | Q | B | 0.0000 | |
89 | H | B | 0.0000 | |
90 | S | B | 0.0000 | |
91 | Y | B | -0.0045 | |
92 | E | B | -1.1973 | |
93 | T | B | -0.5760 | |
94 | P | B | -0.3900 | |
95 | F | B | 0.0000 | |
96 | S | B | -0.3713 | |
97 | F | B | 0.0000 | |
98 | G | B | 0.0000 | |
99 | P | B | -0.8826 | |
100 | G | B | -0.7272 | |
101 | T | B | 0.0000 | |
102 | T | B | -0.8821 | |
103 | V | B | 0.0000 | |
104 | D | B | -1.3196 | |
105 | V | B | 0.3237 | |
106 | K | B | -1.1200 |