Chain sequence(s) |
A: EVQLLESGGGLVQPGGSLRLSCAASGFTFSSYAMSWVRQAPGKGLEWVSAISGSGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCASADTAYCGGDCYTLTRYYDSSGYPTEVDYWGQGTLVTVSS
B: DIQMTQSPSSLSASVGDRVTITCRASQSISSYLNWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYSTPLRTFGQGTKLEIK 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 (00:00:01) [INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:01:53) [INFO] Main: Simulation completed successfully. (00:01:54) |
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 | -2.0489 | |
2 | V | A | -1.1482 | |
3 | Q | A | -1.1678 | |
4 | L | A | 0.0000 | |
5 | L | A | 0.7682 | |
6 | E | A | 0.0000 | |
7 | S | A | -0.2855 | |
8 | G | A | -0.7961 | |
9 | G | A | 0.0929 | |
10 | G | A | 0.5956 | |
11 | L | A | 1.3211 | |
12 | V | A | 0.0000 | |
13 | Q | A | -1.4113 | |
14 | P | A | -1.6615 | |
15 | G | A | -1.5203 | |
16 | G | A | -1.0859 | |
17 | S | A | -1.5280 | |
18 | L | A | -1.1389 | |
19 | R | A | -2.3489 | |
20 | L | A | 0.0000 | |
21 | S | A | -0.4680 | |
22 | C | A | 0.0000 | |
23 | A | A | -0.2308 | |
24 | A | A | 0.0000 | |
25 | S | A | -1.0310 | |
26 | G | A | -1.1590 | |
27 | F | A | -0.5018 | |
28 | T | A | -0.2752 | |
29 | F | A | 0.0000 | |
30 | S | A | -0.6785 | |
31 | S | A | -0.3749 | |
32 | Y | A | 0.0000 | |
33 | A | 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 | -0.6034 | |
40 | A | A | -1.0191 | |
41 | P | A | -0.8179 | |
42 | G | A | -1.4737 | |
43 | K | A | -2.3760 | |
44 | G | A | -1.6565 | |
45 | L | A | 0.0000 | |
46 | E | A | -1.0998 | |
47 | W | A | 0.0000 | |
48 | V | A | 0.0000 | |
49 | S | A | 0.0000 | |
50 | A | A | 0.0000 | |
51 | I | A | 0.0000 | |
52 | S | A | -0.3870 | |
53 | G | A | -0.5478 | |
54 | S | A | -0.7169 | |
55 | G | A | -0.7756 | |
56 | G | A | -0.7216 | |
57 | S | A | -0.3598 | |
58 | T | A | 0.0082 | |
59 | Y | A | 0.1499 | |
60 | Y | A | -0.6150 | |
61 | A | A | -1.4305 | |
62 | D | A | -2.6182 | |
63 | S | A | -1.7613 | |
64 | V | A | 0.0000 | |
65 | K | A | -2.5309 | |
66 | G | A | -1.8085 | |
67 | R | A | -1.7113 | |
68 | F | A | 0.0000 | |
69 | T | A | -0.9964 | |
70 | I | A | 0.0000 | |
71 | S | A | -0.5110 | |
72 | R | A | -1.0481 | |
73 | D | A | -1.5357 | |
74 | N | A | -1.7251 | |
75 | S | A | -1.5977 | |
76 | K | A | -2.4241 | |
77 | N | A | -1.8753 | |
78 | T | A | -1.0746 | |
79 | L | A | 0.0000 | |
80 | Y | A | -0.6323 | |
81 | L | A | 0.0000 | |
82 | Q | A | -1.7254 | |
83 | M | A | 0.0000 | |
84 | N | A | -2.0943 | |
85 | S | A | -1.4762 | |
86 | L | A | 0.0000 | |
87 | R | A | -2.2982 | |
88 | A | A | -1.7022 | |
89 | E | A | -2.2048 | |
90 | D | A | 0.0000 | |
91 | T | A | -0.3669 | |
92 | A | A | 0.0000 | |
93 | V | A | 0.7786 | |
94 | Y | A | 0.0000 | |
95 | Y | A | 0.0000 | |
96 | C | A | 0.0000 | |
97 | A | A | 0.0000 | |
98 | S | A | 0.0000 | |
99 | A | A | 0.0000 | |
100 | D | A | 0.0000 | |
101 | T | A | 0.7411 | |
102 | A | A | 1.5606 | |
103 | Y | A | 2.0740 | |
104 | C | A | 1.3162 | |
105 | G | A | 0.1403 | |
106 | G | A | -0.3533 | |
107 | D | A | -0.0072 | |
108 | C | A | 1.2459 | |
109 | Y | A | 1.8434 | |
110 | T | A | 1.2412 | |
111 | L | A | 1.3994 | |
112 | T | A | 0.0000 | |
113 | R | A | -0.5387 | |
114 | Y | A | 0.6125 | |
115 | Y | A | 1.0701 | |
116 | D | A | 0.0722 | |
117 | S | A | -0.0820 | |
118 | S | A | -0.0366 | |
119 | G | A | 0.2761 | |
120 | Y | A | 1.0695 | |
121 | P | A | 0.4306 | |
122 | T | A | 0.0434 | |
123 | E | A | -0.1871 | |
124 | V | A | -0.0867 | |
125 | D | A | -0.4300 | |
126 | Y | A | -0.1715 | |
127 | W | A | -0.4671 | |
128 | G | A | 0.0000 | |
129 | Q | A | -1.4097 | |
130 | G | A | -0.2414 | |
131 | T | A | 0.5513 | |
132 | L | A | 1.6307 | |
133 | V | A | 0.0000 | |
134 | T | A | 0.3052 | |
135 | V | A | 0.0000 | |
136 | S | A | -0.7989 | |
137 | S | A | -0.6987 | |
1 | D | B | -2.3286 | |
2 | I | B | -1.5479 | |
3 | Q | B | -2.0536 | |
4 | M | B | 0.0000 | |
5 | T | B | -1.3036 | |
6 | Q | B | 0.0000 | |
7 | S | B | -0.6272 | |
8 | P | B | -0.5781 | |
9 | S | B | -0.8525 | |
10 | S | B | -0.9269 | |
11 | L | B | -0.6794 | |
12 | S | B | -1.0314 | |
13 | A | B | 0.0000 | |
14 | S | B | -0.7655 | |
15 | V | B | 0.1170 | |
16 | G | B | -0.7458 | |
17 | D | B | -1.5943 | |
18 | R | B | -2.2663 | |
19 | V | B | 0.0000 | |
20 | T | B | -0.6023 | |
21 | I | B | 0.0000 | |
22 | T | B | -0.7096 | |
23 | C | B | 0.0000 | |
24 | R | B | -2.3961 | |
25 | A | B | 0.0000 | |
26 | S | B | -1.8975 | |
27 | Q | B | -2.1418 | |
28 | S | B | -1.2008 | |
29 | I | B | 0.0000 | |
30 | S | B | -0.5412 | |
31 | S | B | -0.3500 | |
32 | Y | B | 0.3535 | |
33 | L | B | 0.0000 | |
34 | N | B | 0.0000 | |
35 | W | B | 0.0000 | |
36 | Y | B | 0.0000 | |
37 | Q | B | -1.0305 | |
38 | Q | B | 0.0000 | |
39 | K | B | -1.8126 | |
40 | P | B | -1.2475 | |
41 | G | B | -1.6642 | |
42 | K | B | -2.6853 | |
43 | A | B | -1.7277 | |
44 | P | B | 0.0000 | |
45 | K | B | -2.0017 | |
46 | L | B | 0.0000 | |
47 | L | B | 0.0000 | |
48 | I | B | 0.0000 | |
49 | Y | B | 0.0000 | |
50 | A | B | -0.0375 | |
51 | A | B | 0.0000 | |
52 | S | B | -0.3096 | |
53 | S | B | -0.0297 | |
54 | L | B | 0.1372 | |
55 | Q | B | -0.2616 | |
56 | S | B | -0.3299 | |
57 | G | B | -0.5942 | |
58 | V | B | 0.0000 | |
59 | P | B | -0.4842 | |
60 | S | B | -0.4778 | |
61 | R | B | -0.7762 | |
62 | F | B | 0.0000 | |
63 | S | B | -0.3596 | |
64 | G | B | -0.3136 | |
65 | S | B | -0.7136 | |
66 | G | B | -1.0961 | |
67 | S | B | -1.0335 | |
68 | G | B | -1.1650 | |
69 | T | B | -1.7094 | |
70 | D | B | -2.1985 | |
71 | F | B | 0.0000 | |
72 | T | B | -0.7334 | |
73 | L | B | 0.0000 | |
74 | T | B | -0.6174 | |
75 | I | B | 0.0000 | |
76 | S | B | -1.2955 | |
77 | S | B | -1.0803 | |
78 | L | B | 0.0000 | |
79 | Q | B | -0.7217 | |
80 | P | B | -1.0683 | |
81 | E | B | -1.7094 | |
82 | D | B | 0.0000 | |
83 | F | B | -0.6825 | |
84 | A | B | 0.0000 | |
85 | T | B | -0.9147 | |
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 | 0.0000 | |
92 | Y | B | 0.6632 | |
93 | S | B | 0.2432 | |
94 | T | B | 0.0000 | |
95 | P | B | 0.3027 | |
96 | L | B | 0.3009 | |
97 | R | B | 0.0000 | |
98 | T | B | -0.6495 | |
99 | F | B | 0.0000 | |
100 | G | B | 0.0000 | |
101 | Q | B | -1.7965 | |
102 | G | B | 0.0000 | |
103 | T | B | 0.0000 | |
104 | K | B | -1.5914 | |
105 | L | B | 0.0000 | |
106 | E | B | -1.6678 | |
107 | I | B | -1.0023 | |
108 | K | B | -1.6252 |