Chain sequence(s) |
A: QVQLQESGPGQVTSSETLSLTCTVSGDSVTSTSYYWGWIRQPPGKGLEWIGNIYDSGDTKYNPSLKSRVTISVDTSKNQFSLNLSSVTAADTAVYYCSRQATHDFWSGFYWASMGQEYYYYGLDVWGQGITVTVSS
B: QSALTQPVSASGSPGQSVTISCAGSSNDVGGYNYVSWYQQHPDKAPKLIMYEVNKRPSGVPDRFSASKSGNTASLTVSGLQADDEADYYCSSYAGSNNFFVFGTGTKVTVL 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 (00:01:37) [INFO] Main: Simulation completed successfully. (00:01:38) |
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 | -1.5540 | |
2 | V | A | -1.2720 | |
3 | Q | A | -1.8697 | |
4 | L | A | 0.0000 | |
5 | Q | A | -1.3965 | |
6 | E | A | 0.0000 | |
7 | S | A | -0.6496 | |
8 | G | A | -0.8762 | |
9 | P | A | -1.0103 | |
10 | G | A | -1.1579 | |
11 | Q | A | -1.5777 | |
12 | V | A | 0.0000 | |
13 | T | A | -0.9239 | |
14 | S | A | -0.9041 | |
15 | S | A | -1.0905 | |
16 | E | A | -1.6541 | |
17 | T | A | -1.1071 | |
18 | L | A | 0.0000 | |
19 | S | A | -0.7039 | |
20 | L | A | 0.0000 | |
21 | T | A | -0.5554 | |
22 | C | A | 0.0000 | |
23 | T | A | -1.1021 | |
24 | V | A | 0.0000 | |
25 | S | A | -1.2787 | |
26 | G | A | -1.2796 | |
27 | D | A | -1.1021 | |
28 | S | A | -0.6985 | |
29 | V | A | 0.0000 | |
30 | T | A | -0.9053 | |
31 | S | A | -0.6016 | |
32 | T | A | -0.7654 | |
33 | S | A | -0.5580 | |
34 | Y | A | -0.4076 | |
35 | Y | A | 0.0000 | |
36 | W | A | 0.0000 | |
37 | G | A | 0.0000 | |
38 | W | A | 0.0000 | |
39 | I | A | 0.0000 | |
40 | R | A | 0.0000 | |
41 | Q | A | -0.7744 | |
42 | P | A | -0.8892 | |
43 | P | A | -1.0087 | |
44 | G | A | -1.4787 | |
45 | K | A | -2.1933 | |
46 | G | A | -1.3685 | |
47 | L | A | 0.0000 | |
48 | E | A | -0.8042 | |
49 | W | A | 0.0000 | |
50 | I | A | 0.0000 | |
51 | G | A | 0.0000 | |
52 | N | A | 0.0000 | |
53 | I | A | 0.0000 | |
54 | Y | A | 0.0000 | |
55 | D | A | -1.9408 | |
56 | S | A | -1.3545 | |
57 | G | A | -1.2249 | |
58 | D | A | -1.3663 | |
59 | T | A | -0.7751 | |
60 | K | A | -0.9257 | |
61 | Y | A | -0.7700 | |
62 | N | A | 0.0000 | |
63 | P | A | -1.2361 | |
64 | S | A | -0.9447 | |
65 | L | A | 0.0000 | |
66 | K | A | -1.9715 | |
67 | S | A | -1.2707 | |
68 | R | A | -1.2413 | |
69 | V | A | 0.0000 | |
70 | T | A | -0.7276 | |
71 | I | A | 0.0000 | |
72 | S | A | -0.4730 | |
73 | V | A | -0.8115 | |
74 | D | A | -1.3252 | |
75 | T | A | -1.1744 | |
76 | S | A | -1.3515 | |
77 | K | A | -2.1931 | |
78 | N | A | -1.5963 | |
79 | Q | A | -1.2642 | |
80 | F | A | 0.0000 | |
81 | S | A | -0.4175 | |
82 | L | A | 0.0000 | |
83 | N | A | -0.7736 | |
84 | L | A | 0.0000 | |
85 | S | A | -0.9671 | |
86 | S | A | -1.0092 | |
87 | V | A | 0.0000 | |
88 | T | A | -0.4015 | |
89 | A | A | -0.0465 | |
90 | A | A | 0.0263 | |
91 | D | A | 0.0000 | |
92 | T | A | -0.2098 | |
93 | A | A | 0.0000 | |
94 | V | A | -0.0119 | |
95 | Y | A | 0.0000 | |
96 | Y | A | 0.0000 | |
97 | C | A | 0.0000 | |
98 | S | A | 0.0000 | |
99 | R | A | -0.4026 | |
100 | Q | A | 0.0000 | |
101 | A | A | 0.0000 | |
102 | T | A | 0.0000 | |
103 | H | A | -0.0561 | |
104 | D | A | -0.1991 | |
105 | F | A | 2.1512 | |
106 | W | A | 1.3322 | |
107 | S | A | 1.1424 | |
108 | G | A | 1.4210 | |
109 | F | A | 3.1510 | |
110 | Y | A | 3.1708 | |
111 | W | A | 2.8207 | |
112 | A | A | 1.7725 | |
113 | S | A | 1.6366 | |
114 | M | A | 1.4736 | |
115 | G | A | -0.1263 | |
116 | Q | A | -1.6026 | |
117 | E | A | -1.0653 | |
118 | Y | A | -0.4063 | |
119 | Y | A | 0.0486 | |
120 | Y | A | 0.0000 | |
121 | Y | A | -0.0421 | |
122 | G | A | 0.0000 | |
123 | L | A | 0.0000 | |
124 | D | A | -0.8647 | |
125 | V | A | -0.8296 | |
126 | W | A | -0.8581 | |
127 | G | A | 0.0000 | |
128 | Q | A | -1.9757 | |
129 | G | A | -1.0808 | |
130 | I | A | -0.2766 | |
131 | T | A | -0.3571 | |
132 | V | A | 0.0000 | |
133 | T | A | -0.5979 | |
134 | V | A | 0.0000 | |
135 | S | A | -0.4899 | |
136 | S | A | -0.3093 | |
1 | Q | B | -0.8861 | |
2 | S | B | -0.5024 | |
3 | A | B | -0.3043 | |
4 | L | B | 0.0000 | |
5 | T | B | 0.0556 | |
6 | Q | B | 0.0000 | |
7 | P | B | 0.4745 | |
8 | V | B | 1.2306 | |
9 | S | B | 0.0629 | |
10 | A | B | -0.2745 | |
11 | S | B | -0.3137 | |
12 | G | B | 0.0000 | |
13 | S | B | -0.2766 | |
14 | P | B | -1.0930 | |
15 | G | B | -1.5270 | |
16 | Q | B | -1.8384 | |
17 | S | B | -1.2584 | |
18 | V | B | 0.0000 | |
19 | T | B | -0.2143 | |
20 | I | B | 0.0000 | |
21 | S | B | -0.2589 | |
22 | C | B | 0.0000 | |
23 | A | B | -0.4830 | |
24 | G | B | -0.9217 | |
25 | S | B | -1.2006 | |
26 | S | B | -1.4550 | |
27 | N | B | -1.9370 | |
28 | D | B | -1.3936 | |
29 | V | B | 0.0000 | |
30 | G | B | -1.6751 | |
31 | G | B | -1.4211 | |
32 | Y | B | -0.9368 | |
33 | N | B | -1.3684 | |
34 | Y | B | -0.5460 | |
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 | -2.3040 | |
42 | P | B | -2.0233 | |
43 | D | B | -2.9056 | |
44 | K | B | -3.1924 | |
45 | A | B | -1.9287 | |
46 | P | B | 0.0000 | |
47 | K | B | -1.7514 | |
48 | L | B | 0.0000 | |
49 | I | B | 0.0000 | |
50 | M | B | 0.0000 | |
51 | Y | B | -0.8897 | |
52 | E | B | -1.0754 | |
53 | V | B | 0.0000 | |
54 | N | B | -2.2648 | |
55 | K | B | -2.0692 | |
56 | R | B | -1.9091 | |
57 | P | B | -1.0097 | |
58 | S | B | -0.7075 | |
59 | G | B | -0.8446 | |
60 | V | B | -1.1343 | |
61 | P | B | -1.3745 | |
62 | D | B | -2.2785 | |
63 | R | B | -1.6382 | |
64 | F | B | 0.0000 | |
65 | S | B | -1.3881 | |
66 | A | B | 0.0000 | |
67 | S | B | -1.0499 | |
68 | K | B | -1.3073 | |
69 | S | B | -0.9502 | |
70 | G | B | -1.2602 | |
71 | N | B | -1.6608 | |
72 | T | B | -0.9480 | |
73 | A | B | 0.0000 | |
74 | S | B | -0.4947 | |
75 | L | B | 0.0000 | |
76 | T | B | -0.3344 | |
77 | V | B | 0.0000 | |
78 | S | B | -1.3310 | |
79 | G | B | -1.3087 | |
80 | L | B | 0.0000 | |
81 | Q | B | -1.9619 | |
82 | A | B | -1.3914 | |
83 | D | B | -2.4302 | |
84 | D | B | 0.0000 | |
85 | E | B | -2.0006 | |
86 | A | B | 0.0000 | |
87 | D | B | -1.3598 | |
88 | Y | B | 0.0000 | |
89 | Y | B | 0.0000 | |
90 | C | B | 0.0000 | |
91 | S | B | 0.0000 | |
92 | S | B | 0.0000 | |
93 | Y | B | 0.0000 | |
94 | A | B | -0.9654 | |
95 | G | B | 0.0000 | |
96 | S | B | -1.2189 | |
97 | N | B | -1.7862 | |
98 | N | B | -1.4775 | |
99 | F | B | 0.0000 | |
100 | F | B | 0.0000 | |
101 | V | B | 0.0000 | |
102 | F | B | 0.0000 | |
103 | G | B | 0.0000 | |
104 | T | B | -0.1668 | |
105 | G | B | -0.4572 | |
106 | T | B | 0.0000 | |
107 | K | B | -1.3844 | |
108 | V | B | 0.0000 | |
109 | T | B | -0.6380 | |
110 | V | B | -0.2476 | |
111 | L | B | 1.3171 |