Chain sequence(s) |
A: QVQLVESGGGVVQPGGSLRLSCIASGFAFRNYGMHWVRQAPGKGLEWVAFIRYDGSDYYFADSVKGRFTISRDNSKDTLVLQMKSLRAEDTAVYYCAKDAPRYYDFWSGYLGPSPDQSSGGKFCFDSWGQGTLVTVSS
B: QSALTQPASVSGSPGQSITISCTGTSSDVGRYKYVSWYQQHPGKAPKLIIYDVNNRPSGVPDRFSGSKSGNTASLTISGLQAEDEADYYCGSYRSSSTPYVFGTGTKVTVL 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 (00:02:11) [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 | -1.2027 | |
2 | V | A | -0.5194 | |
3 | Q | A | -0.9975 | |
4 | L | A | 0.0000 | |
5 | V | A | 0.5482 | |
6 | E | A | 0.0000 | |
7 | S | A | -0.2353 | |
8 | G | A | -0.7943 | |
9 | G | A | 0.1434 | |
10 | G | A | 0.7187 | |
11 | V | A | 1.5533 | |
12 | V | A | 0.0000 | |
13 | Q | A | -1.4110 | |
14 | P | A | -1.7907 | |
15 | G | A | -1.6959 | |
16 | G | A | -1.2556 | |
17 | S | A | -1.7953 | |
18 | L | A | -1.2047 | |
19 | R | A | -2.3858 | |
20 | L | A | 0.0000 | |
21 | S | A | -0.3725 | |
22 | C | A | 0.0000 | |
23 | I | A | 0.4117 | |
24 | A | A | 0.0000 | |
25 | S | A | -0.6033 | |
26 | G | A | -0.5699 | |
27 | F | A | -0.3564 | |
28 | A | A | -0.5770 | |
29 | F | A | 0.0000 | |
30 | R | A | -2.8613 | |
31 | N | A | -1.0547 | |
32 | Y | A | -0.5627 | |
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 | -0.6457 | |
40 | A | A | -1.0452 | |
41 | P | A | -0.8519 | |
42 | G | A | -1.4697 | |
43 | K | A | -2.2088 | |
44 | G | A | -1.4115 | |
45 | L | A | 0.0000 | |
46 | E | A | -0.9503 | |
47 | W | A | 0.0000 | |
48 | V | A | 0.0000 | |
49 | A | A | 0.0000 | |
50 | F | A | 0.0000 | |
51 | I | A | 0.0000 | |
52 | R | A | -1.1309 | |
53 | Y | A | -1.3911 | |
54 | D | A | -2.3883 | |
55 | G | A | -1.5246 | |
56 | S | A | -0.9875 | |
57 | D | A | -0.9503 | |
58 | Y | A | 0.5859 | |
59 | Y | A | 0.0861 | |
60 | F | A | -0.5264 | |
61 | A | A | 0.0000 | |
62 | D | A | -2.4588 | |
63 | S | A | -1.7693 | |
64 | V | A | 0.0000 | |
65 | K | A | -2.5356 | |
66 | G | A | -1.8777 | |
67 | R | A | -1.6758 | |
68 | F | A | 0.0000 | |
69 | T | A | -0.8832 | |
70 | I | A | 0.0000 | |
71 | S | A | -0.7768 | |
72 | R | A | -1.8050 | |
73 | D | A | -2.5248 | |
74 | N | A | -2.8810 | |
75 | S | A | -2.1569 | |
76 | K | A | -2.7493 | |
77 | D | A | -2.2964 | |
78 | T | A | -1.2978 | |
79 | L | A | 0.0000 | |
80 | V | A | 0.0000 | |
81 | L | A | 0.0000 | |
82 | Q | A | -1.6973 | |
83 | M | A | 0.0000 | |
84 | K | A | -2.6092 | |
85 | S | A | -1.8281 | |
86 | L | A | 0.0000 | |
87 | R | A | -2.5108 | |
88 | A | A | -1.8005 | |
89 | E | A | -2.2603 | |
90 | D | A | 0.0000 | |
91 | T | A | -0.3770 | |
92 | A | A | 0.0000 | |
93 | V | A | 0.7132 | |
94 | Y | A | 0.0000 | |
95 | Y | A | 0.0000 | |
96 | C | A | 0.0000 | |
97 | A | A | 0.0000 | |
98 | K | A | 0.0000 | |
99 | D | A | 0.0000 | |
100 | A | A | 0.0000 | |
101 | P | A | 0.2304 | |
102 | R | A | 0.1437 | |
103 | Y | A | 1.1026 | |
104 | Y | A | 2.2937 | |
105 | D | A | 1.8555 | |
106 | F | A | 2.7357 | |
107 | W | A | 2.0094 | |
108 | S | A | 1.0427 | |
109 | G | A | 1.1159 | |
110 | Y | A | 1.4158 | |
111 | L | A | 1.8041 | |
112 | G | A | 0.0000 | |
113 | P | A | 0.0000 | |
114 | S | A | -0.5262 | |
115 | P | A | -1.1988 | |
116 | D | A | -2.2482 | |
117 | Q | A | -2.1263 | |
118 | S | A | -1.3559 | |
119 | S | A | -1.0637 | |
120 | G | A | 0.0000 | |
121 | G | A | -0.6094 | |
122 | K | A | 0.0000 | |
123 | F | A | 0.0000 | |
124 | C | A | 0.0000 | |
125 | F | A | 0.0000 | |
126 | D | A | -0.8019 | |
127 | S | A | -0.6139 | |
128 | W | A | -0.7526 | |
129 | G | A | 0.0000 | |
130 | Q | A | -1.5051 | |
131 | G | A | 0.0000 | |
132 | T | A | 0.4715 | |
133 | L | A | 1.6335 | |
134 | V | A | 0.0000 | |
135 | T | A | 0.3410 | |
136 | V | A | 0.0000 | |
137 | S | A | -0.8322 | |
138 | S | A | -0.5344 | |
1 | Q | B | -1.3539 | |
2 | S | B | -0.8097 | |
3 | A | B | -0.4987 | |
4 | L | B | 0.0000 | |
5 | T | B | -0.1779 | |
6 | Q | B | 0.0000 | |
7 | P | B | -0.3008 | |
8 | A | B | -0.4320 | |
9 | S | B | -0.6681 | |
10 | V | B | -0.3944 | |
11 | S | B | -0.3916 | |
12 | G | B | -0.4499 | |
13 | S | B | -0.4546 | |
14 | P | B | -1.0294 | |
15 | G | B | -1.4748 | |
16 | Q | B | -1.8394 | |
17 | S | B | -1.2200 | |
18 | I | B | 0.0000 | |
19 | T | B | -0.1770 | |
20 | I | B | 0.0000 | |
21 | S | B | -0.2731 | |
22 | C | B | 0.0000 | |
23 | T | B | -0.4905 | |
24 | G | B | -0.8062 | |
25 | T | B | -0.9728 | |
26 | S | B | -1.1422 | |
27 | S | B | -0.9658 | |
28 | D | B | 0.0000 | |
29 | V | B | 0.0000 | |
30 | G | B | -1.9852 | |
31 | R | B | -2.3115 | |
32 | Y | B | -1.5421 | |
33 | K | B | -2.1261 | |
34 | Y | B | -0.8150 | |
35 | V | B | 0.0000 | |
36 | S | B | 0.0000 | |
37 | W | B | 0.0000 | |
38 | Y | B | 0.0000 | |
39 | Q | B | 0.0000 | |
40 | Q | B | 0.0000 | |
41 | H | B | -1.8393 | |
42 | P | B | -1.3104 | |
43 | G | B | -1.6058 | |
44 | K | B | -2.4887 | |
45 | A | B | -1.6405 | |
46 | P | B | 0.0000 | |
47 | K | B | -1.7122 | |
48 | L | B | 0.0000 | |
49 | I | B | 0.0000 | |
50 | I | B | 0.0000 | |
51 | Y | B | -1.0647 | |
52 | D | B | -1.3774 | |
53 | V | B | 0.0000 | |
54 | N | B | -2.3446 | |
55 | N | B | -2.2233 | |
56 | R | B | -2.1691 | |
57 | P | B | -0.9720 | |
58 | S | B | -0.9610 | |
59 | G | B | -0.9203 | |
60 | V | B | -1.1987 | |
61 | P | B | -1.3915 | |
62 | D | B | -2.4027 | |
63 | R | B | -1.4616 | |
64 | F | B | 0.0000 | |
65 | S | B | -1.4389 | |
66 | G | B | -1.2397 | |
67 | S | B | -1.1548 | |
68 | K | B | -1.5593 | |
69 | S | B | -1.0040 | |
70 | G | B | -1.3962 | |
71 | N | B | -1.5093 | |
72 | T | B | -0.8820 | |
73 | A | B | 0.0000 | |
74 | S | B | -0.5705 | |
75 | L | B | 0.0000 | |
76 | T | B | -0.3262 | |
77 | I | B | 0.0000 | |
78 | S | B | -1.2475 | |
79 | G | B | -1.3809 | |
80 | L | B | 0.0000 | |
81 | Q | B | -1.5927 | |
82 | A | B | -1.1472 | |
83 | E | B | -2.2868 | |
84 | D | B | 0.0000 | |
85 | E | B | -1.7102 | |
86 | A | B | 0.0000 | |
87 | D | B | -1.4344 | |
88 | Y | B | 0.0000 | |
89 | Y | B | 0.0000 | |
90 | C | B | 0.0000 | |
91 | G | B | 0.0000 | |
92 | S | B | 0.0000 | |
93 | Y | B | -0.2739 | |
94 | R | B | 0.0000 | |
95 | S | B | -0.5142 | |
96 | S | B | -0.6868 | |
97 | S | B | -0.7714 | |
98 | T | B | -0.9431 | |
99 | P | B | 0.0000 | |
100 | Y | B | 0.0000 | |
101 | V | B | 0.0000 | |
102 | F | B | 0.0000 | |
103 | G | B | 0.0000 | |
104 | T | B | -0.5059 | |
105 | G | B | -0.8501 | |
106 | T | B | 0.0000 | |
107 | K | B | -1.7247 | |
108 | V | B | 0.0000 | |
109 | T | B | -0.6202 | |
110 | V | B | 0.0000 | |
111 | L | B | 1.2461 |