Chain sequence(s) |
A: EVQLVESGGGLVQPGGSLRLSCAASGFTFSSYWMSWVRQAPGKGLEWVANIKQDGSEKYYVDSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCARADRLAGPEGSVLRYFDWLLKGDAFDIWGQGTMVTVSS
B: DIQMTQSPSSLSASVGDRVTITCRASQSISSYLNWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYSTPPTFGGGTKVEIK 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] (00:00:01) [WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow to prevent this behavior) (00:00:01) [INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01) [INFO] runJob: Creating pdb object from: input.pdb (00:00:01) [INFO] FoldX: Starting FoldX energy minimization (00:00:02) [INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:02:33) [INFO] Main: Simulation completed successfully. (00:02:34) |
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 | E | A | -2.1287 | |
2 | V | A | -1.2531 | |
3 | Q | A | -1.3229 | |
4 | L | A | 0.0000 | |
5 | V | A | 0.8653 | |
6 | E | A | 0.0000 | |
7 | S | A | -0.3879 | |
8 | G | A | -0.9220 | |
9 | G | A | -0.2119 | |
10 | G | A | 0.3961 | |
11 | L | A | 1.3066 | |
12 | V | A | -0.0063 | |
13 | Q | A | -1.3191 | |
14 | P | A | -1.6970 | |
15 | G | A | -1.5155 | |
16 | G | A | 0.0000 | |
17 | S | A | -1.5031 | |
18 | L | A | -1.1222 | |
19 | R | A | -2.3913 | |
20 | L | A | 0.0000 | |
21 | S | A | -0.5087 | |
22 | C | A | 0.0000 | |
23 | A | A | -0.1691 | |
24 | A | A | 0.0000 | |
25 | S | A | -0.9313 | |
26 | G | A | -1.2623 | |
27 | F | A | -0.5216 | |
28 | T | A | -0.2088 | |
29 | F | A | 0.0000 | |
30 | S | A | -1.1210 | |
31 | S | A | -0.4406 | |
32 | Y | A | -0.2797 | |
33 | W | A | 0.0000 | |
34 | M | A | 0.0000 | |
35 | S | A | 0.0000 | |
36 | W | A | 0.0000 | |
37 | V | A | 0.0000 | |
38 | R | A | 0.0000 | |
39 | Q | A | -0.7437 | |
40 | A | A | -1.1447 | |
41 | P | A | -0.9518 | |
42 | G | A | -1.4709 | |
43 | K | A | -2.2676 | |
44 | G | A | -1.4080 | |
45 | L | A | 0.0000 | |
46 | E | A | -0.8534 | |
47 | W | A | 0.0000 | |
48 | V | A | 0.0000 | |
49 | A | A | 0.0000 | |
50 | N | A | 0.0000 | |
51 | I | A | 0.0000 | |
52 | K | A | -1.3682 | |
53 | Q | A | -1.4050 | |
54 | D | A | -2.3890 | |
55 | G | A | -1.8412 | |
56 | S | A | -1.4305 | |
57 | E | A | -1.4834 | |
58 | K | A | -0.9171 | |
59 | Y | A | -0.2654 | |
60 | Y | A | -0.6369 | |
61 | V | A | -1.1815 | |
62 | D | A | -2.2595 | |
63 | S | A | -1.6934 | |
64 | V | A | 0.0000 | |
65 | K | A | -2.4323 | |
66 | G | A | -1.8092 | |
67 | R | A | -1.5421 | |
68 | F | A | 0.0000 | |
69 | T | A | -1.0873 | |
70 | I | A | 0.0000 | |
71 | S | A | -0.9374 | |
72 | R | A | -1.4441 | |
73 | D | A | -2.0212 | |
74 | N | A | -2.0707 | |
75 | A | A | -1.4778 | |
76 | K | A | -2.4128 | |
77 | N | A | -1.9116 | |
78 | S | A | 0.0000 | |
79 | L | A | 0.0000 | |
80 | Y | A | 0.0000 | |
81 | L | A | 0.0000 | |
82 | Q | A | -1.7543 | |
83 | M | A | 0.0000 | |
84 | N | A | -2.1052 | |
85 | S | A | -1.5020 | |
86 | L | A | 0.0000 | |
87 | R | A | -2.3464 | |
88 | A | A | -1.7786 | |
89 | E | A | -2.2674 | |
90 | D | A | 0.0000 | |
91 | T | A | -0.5332 | |
92 | A | A | 0.0000 | |
93 | V | A | 0.3491 | |
94 | Y | A | 0.0000 | |
95 | Y | A | 0.0000 | |
96 | C | A | 0.0000 | |
97 | A | A | 0.0000 | |
98 | R | A | 0.0000 | |
99 | A | A | 0.0000 | |
100 | D | A | 0.0000 | |
101 | R | A | -0.3003 | |
102 | L | A | -0.1358 | |
103 | A | A | -0.6871 | |
104 | G | A | -0.8819 | |
105 | P | A | -0.6048 | |
106 | E | A | -1.7958 | |
107 | G | A | -0.4092 | |
108 | S | A | 0.8094 | |
109 | V | A | 2.4555 | |
110 | L | A | 2.6464 | |
111 | R | A | 1.0967 | |
112 | Y | A | 1.8156 | |
113 | F | A | 2.8406 | |
114 | D | A | 0.9884 | |
115 | W | A | 1.0680 | |
116 | L | A | 1.3169 | |
117 | L | A | 1.0283 | |
118 | K | A | 0.2550 | |
119 | G | A | 0.2637 | |
120 | D | A | 0.0000 | |
121 | A | A | 0.0000 | |
122 | F | A | 0.0000 | |
123 | D | A | -0.4031 | |
124 | I | A | -0.0913 | |
125 | W | A | -0.4260 | |
126 | G | A | 0.0000 | |
127 | Q | A | -1.3278 | |
128 | G | A | 0.0000 | |
129 | T | A | 0.0958 | |
130 | M | A | 0.6548 | |
131 | V | A | 0.0000 | |
132 | T | A | 0.0745 | |
133 | V | A | 0.0000 | |
134 | S | A | -0.7518 | |
135 | S | A | -0.9443 | |
1 | D | B | -2.1941 | |
2 | I | B | -1.5316 | |
3 | Q | B | -2.1457 | |
4 | M | B | 0.0000 | |
5 | T | B | -1.3487 | |
6 | Q | B | -0.9325 | |
7 | S | B | -0.8912 | |
8 | P | B | -0.6205 | |
9 | S | B | -0.7984 | |
10 | S | B | -0.9870 | |
11 | L | B | -0.7463 | |
12 | S | B | -1.0897 | |
13 | A | B | -0.8550 | |
14 | S | B | -0.6977 | |
15 | V | B | 0.1857 | |
16 | G | B | -0.6980 | |
17 | D | B | -1.5620 | |
18 | R | B | -2.2596 | |
19 | V | B | 0.0000 | |
20 | T | B | -0.6416 | |
21 | I | B | 0.0000 | |
22 | T | B | -0.8964 | |
23 | C | B | 0.0000 | |
24 | R | B | -2.8112 | |
25 | A | B | 0.0000 | |
26 | S | B | -1.9412 | |
27 | Q | B | -2.0430 | |
28 | S | B | -1.1079 | |
29 | I | B | 0.0000 | |
30 | S | B | -0.3158 | |
31 | S | B | -0.0388 | |
32 | Y | B | 0.7139 | |
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 | 0.0000 | |
39 | K | B | -1.8173 | |
40 | P | B | -1.2218 | |
41 | G | B | -1.7231 | |
42 | K | B | -2.6498 | |
43 | A | B | -1.6773 | |
44 | P | B | 0.0000 | |
45 | K | B | -1.7529 | |
46 | L | B | 0.0000 | |
47 | L | B | 0.0000 | |
48 | I | B | 0.0000 | |
49 | Y | B | 0.2752 | |
50 | A | B | 0.3690 | |
51 | A | B | 0.0000 | |
52 | S | B | -0.2345 | |
53 | S | B | 0.1094 | |
54 | L | B | 0.3033 | |
55 | Q | B | -0.3056 | |
56 | S | B | -0.3902 | |
57 | G | B | -0.4936 | |
58 | V | B | -0.3593 | |
59 | P | B | -0.3190 | |
60 | S | B | -0.4006 | |
61 | R | B | -0.6980 | |
62 | F | B | 0.0000 | |
63 | S | B | -0.2976 | |
64 | G | B | -0.2733 | |
65 | S | B | -0.6860 | |
66 | G | B | -1.0715 | |
67 | S | B | -0.9771 | |
68 | G | B | -1.1248 | |
69 | T | B | -1.7293 | |
70 | D | B | -2.1205 | |
71 | F | B | 0.0000 | |
72 | T | B | -0.7832 | |
73 | L | B | 0.0000 | |
74 | T | B | -0.6194 | |
75 | I | B | 0.0000 | |
76 | S | B | -1.3118 | |
77 | S | B | -1.0718 | |
78 | L | B | 0.0000 | |
79 | Q | B | -0.6934 | |
80 | P | B | -1.0445 | |
81 | E | B | -1.6739 | |
82 | D | B | 0.0000 | |
83 | F | B | -0.6650 | |
84 | A | B | 0.0000 | |
85 | T | B | 0.0000 | |
86 | Y | B | 0.0000 | |
87 | Y | B | 0.0000 | |
88 | C | B | 0.0000 | |
89 | Q | B | 0.0000 | |
90 | Q | B | 0.0000 | |
91 | S | B | 0.5529 | |
92 | Y | B | 0.9195 | |
93 | S | B | 0.0956 | |
94 | T | B | -0.1038 | |
95 | P | B | -0.4500 | |
96 | P | B | 0.0000 | |
97 | T | B | -0.5390 | |
98 | F | B | -0.3101 | |
99 | G | B | 0.0000 | |
100 | G | B | -1.2003 | |
101 | G | B | -0.9685 | |
102 | T | B | 0.0000 | |
103 | K | B | -1.5930 | |
104 | V | B | 0.0000 | |
105 | E | B | -1.6077 | |
106 | I | B | -1.1066 | |
107 | K | B | -1.6313 |